PRODUCT NAME | CAS Registry Number |
(8 suppliers)
IUPAC Name: (5S,6R,7R,8S)-5,6,7,8-tetrahydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one | CAS Registry Number: 69809-22-9
Synonyms: Agarotetrol, AKOS030573564
Molecular Formula: | C17H18O6 | Molecular Weight: | 318.325 [g/mol] | H-Bond Donor: | 4 | H-Bond Acceptor: | 6 |
InChIKey: CWMIROLCTHMEEO-JJXSEGSLSA-N
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(8 suppliers)
IUPAC Name: [(E)-5-[(1S,4aR,5S,8aR)-5-(acetyloxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl] acetate | CAS Registry Number: 24022-13-7
Synonyms: MolPort-035-705-909, ZINC96023667, W1463, 1-Naphthalenemethanol,5-[5-(acetyloxy)-3-methyl-3-pentenyl]decahydro-1,4a-dimethyl-6-methylene-,acetate, [1S-[1a,4aa,5a(E),8ab]]- (9CI)
Molecular Formula: | C24H38O4 | Molecular Weight: | 390.564 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 4 |
InChIKey: LBHXIQMBWNFUCB-AOYOYUNPSA-N
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(6 suppliers)
IUPAC Name: (E,2S,3S)-3,5-bis(4-hydroxyphenyl)pent-4-ene-1,2-diol | CAS Registry Number: 7288-11-1
Synonyms: CHEBI:53627, (2S,3S,4E)-3,5-bis(4-hydroxyphenyl)pent-4-ene-1,2-diol, Epitope ID:116875, MolPort-039-141-773, 9073AF, ZINC33847352, OR185123, (2S,3S)-3,5-Bis(4-hydroxyphenyl)-4-pentene-1,2-diol
Molecular Formula: | C17H18O4 | Molecular Weight: | 286.327 [g/mol] | H-Bond Donor: | 4 | H-Bond Acceptor: | 4 |
InChIKey: DVUXXXYVVWRAIA-UDEVJOAWSA-N
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(8 suppliers)
IUPAC Name: 4-[(E,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(4-hydroxyphenyl)prop-1-enyl]phenol | CAS Registry Number: 800389-33-7
Synonyms: CHEBI:69978, MolPort-039-141-774, 9074AF, ZINC96086293, Phenol,4,4'-[(1E,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-propene-1,3-diyl]bis-
Molecular Formula: | C20H22O4 | Molecular Weight: | 326.392 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 4 |
InChIKey: DGNCNVJVRJKHEP-ORFBMEDESA-N
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(3 suppliers)
IUPAC Name: (1S,4aR,5S,8aR)-5-[(E)-5-hydroxy-3-methyl-5-oxopent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid | CAS Registry Number: 640-28-8
Synonyms: Agathic acid, agathicacid, CHEBI:604540, CID6436877, Labda-8(17),13-diene-15,19-dioic acid
Molecular Formula: | C20H30O4 | Molecular Weight: | 334.449800 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 4 |
InChIKey: QYCOHMYDSOZCQD-GWEOMKHGSA-N
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(2 suppliers)
IUPAC Name: methyl (1S,4aR,5S,8aR)-5-[(E)-5-methoxy-3-methyl-5-oxopent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate | CAS Registry Number: 1757-85-3
Synonyms: Methyl athecate
Molecular Formula: | C22H34O4 | Molecular Weight: | 362.510 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 4 |
InChIKey: GVEUOELTSSYBCA-NXQHOHPJSA-N
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(5 suppliers)
IUPAC Name: 8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one | CAS Registry Number: 28441-98-7
Synonyms: Agathisflavone, 6,8''-Biapigenin, CHEBI:2512, MolPort-005-945-277, AIDS045999, AIDS-045999, LMPK12040008, CID5281599, NP-008839, C10017, (6,8'-Bi-4H-1-benzopyran)-4,4'-dione, 5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-, 5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-6,8'-bichromene-4,4'-dione
Molecular Formula: | C30H18O10 | Molecular Weight: | 538.457920 [g/mol] | H-Bond Donor: | 6 | H-Bond Acceptor: | 10 |
InChIKey: BACLASYRJRZXMY-UHFFFAOYSA-N
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(1 supplier) | |
(1 supplier)
IUPAC Name: 5-hydroxy-8-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-6-yl]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one | CAS Registry Number: 41679-06-5
Synonyms: DMGF, 5,5'-dihydroxy-2,2'-bis(4-hydroxyphenyl)-7,7'-dimethoxy-4H,4'H-[6,8'-bichromene]-4,4'-dione, 7,7''-Dimethoxyagathisflavone
Molecular Formula: | C32H22O10 | Molecular Weight: | 566.500 [g/mol] | H-Bond Donor: | 4 | H-Bond Acceptor: | 10 |
InChIKey: QPFBVCAQCZYOIT-UHFFFAOYSA-N
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(10 suppliers)
IUPAC Name: (4aR,5S,8aR)-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carbaldehyde | CAS Registry Number: 3650-31-5
Molecular Formula: | C20H32O2 | Molecular Weight: | 304.466880 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 2 |
InChIKey: FSLWKIHHQUNBQK-VLXCKWDISA-N
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(3 suppliers)
IUPAC Name: (E)-5-[(1S,4aR,5S)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid | CAS Registry Number: 25671-16-3
Molecular Formula: | C20H32O3 | Molecular Weight: | 320.473 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 3 |
InChIKey: YGILXMANNHJYJZ-MRCSFVJGSA-N
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(1 supplier)
Synonyms: Agavoside C, Agavasaponin C, CID3041801, BRN 1615581, 75215-99-5, Spirostan-12-one, 3-((O-beta-D-xylopyranosyl-(1-2)-O-beta-glucopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranosyl)oxy)-, (3-beta,5-alpha,25R)-
Molecular Formula: | C50H80O23 | Molecular Weight: | 1049.156400 [g/mol] | H-Bond Donor: | 12 | H-Bond Acceptor: | 23 |
InChIKey: FKUKKUIPHKPIMS-UHFFFAOYSA-N
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(4 suppliers)
Synonyms: Agavasaponin E, Agavoside E, CID399373, NSC710090, NCI60_038760, Spirostan-12-one, 3-[(O-6-deoxy-.alpha.-L-mannopyranosyl-(1 .fwdarw.4)-O-6-deoxy-.alpha.-L-mannopyranosyl-(1.fwdarw.3)~ -O-[.beta.-D-xylopyranosyl-(1.fwdarw.2)]-O-.beta.-D-gluco pyranosyl-(1.fwdarw.4)-.beta.-D-galactopyranosyl)oxy]-, (3.beta.,5.alpha.,25R)-
Molecular Formula: | C62H100O31 | Molecular Weight: | 1341.438800 [g/mol] | H-Bond Donor: | 16 | H-Bond Acceptor: | 31 |
InChIKey: HYUWBRLXQLHDHD-SFECIVCUSA-N
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(3 suppliers)
Synonyms: Agavoside H, Agavasaponin H, CID3041805, LS-70949, Furostan-12-one, 3-((O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-O-(beta-D-xylopyranosyl-(1-2))-O-beta-D-glucopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranosyl)oxy)-26-(beta-D-glucopyranosyloxy)-22-hydroxy-, (3-beta,5-alpha,22-alpha,25R)-, 58546-21-7
Molecular Formula: | C68H112O37 | Molecular Weight: | 1521.594680 [g/mol] | H-Bond Donor: | 21 | H-Bond Acceptor: | 37 |
InChIKey: UUFUBRZQDOOECH-UHFFFAOYSA-N
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(6 suppliers)
Synonyms: Agaveside A, CID3083095, (3beta,5alpha,25R)-Spirostan-3-yl O-beta-D-xylopyranosyl-(1-3)-O-beta-D-galactopyranosyl-(1-2)-O-(O-beta-D-xylopyranosyl-(1-2)-O-(beta-D-xylopyranosyl-(1-3))-beta-D-glucopyranosyl-(1-3))-beta-D-Glucopyranoside, 3-beta-O-(beta-Xylopyranosyl)(1-2),beta-xylopyranosyl(1-3),beta-(glucopyranosyl(1-3)(beta-xylopyranosyl(1-3)beta-galactopyranosyl(1-2))-beta-glucopyranosyl)spirostane, beta-D-Glucopyranoside, (3beta,5alpha,25R)-spirostan-3-yl O-beta-D-xylopyranosyl-(1-3)-O-beta-D-galactopyranosyl-(1-2)-O-(O-beta-D-xylopyranosyl-(1-2)-O-(beta-D-xylopyranosyl-(1-3))-beta-D-glucopyranosyl-(1-3))-
Molecular Formula: | C60H98O30 | Molecular Weight: | 1299.402120 [g/mol] | H-Bond Donor: | 16 | H-Bond Acceptor: | 30 |
InChIKey: HZGNQHFLYATDIS-UHFFFAOYSA-N
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(5 suppliers)
Synonyms: Agaveside B, CID3083096, 3beta-O-(beta-Xylopyranosyl(1-2),beta-xylopyranosyl(1-3)beta-glucopyranosyl(1-3)(beta-galactopyranosyl(1-2))-beta-glucopyranosyl)spirostane, beta-D-Glucopyranoside, (3beta,5alpha,25R)-spirostan-3-yl O-beta-D-galactopyranosyl-(1-2)-O-(O-beta-D-xylopyranosyl-(1-2)-O-(beta-D-xylopyranosyl-(1-3))-beta-D-glucopyranosyl-(1-3))-
Molecular Formula: | C55H90O26 | Molecular Weight: | 1167.287500 [g/mol] | H-Bond Donor: | 14 | H-Bond Acceptor: | 26 |
InChIKey: OACSKEOLIDHUQF-UHFFFAOYSA-N
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(5 suppliers)
Synonyms: Agaveside C, CID195781, 3-(alpha-Rhamnopyranopyranosyl-(1-2)-beta-glucopyranosyl-(1-3)-beta-glucopyranosyl-(beta-xylopyranosyl-(1-4)-alpha-rhamnopyranosyl-(1-2))-beta-glucopyranosyl)-2-hydroxy-5-alpha-spirostane
Molecular Formula: | C62H102O31 | Molecular Weight: | 1343.454680 [g/mol] | H-Bond Donor: | 17 | H-Bond Acceptor: | 31 |
InChIKey: CKIHADOGTATGRK-UHFFFAOYSA-N
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(5 suppliers)
Synonyms: Agaveside D, CID3083320, 3beta-(alpha-L-Rhamnosyl-(1-2),beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl(beta-D-xylopyranosyl-(1-4)-alpha-L-rhamnopyranosyl-(1-2))-beta-D-glucopyranosyl)-25R-5alpha-spirostane, beta-D-Glucopyranoside, (3beta,5alpha,25R)-spirostan-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-3)-O-(O-beta-D-xylopyranosyl-(1-4)-6-deoxy-alpha-L-mannopyranocyl-(1-2))-, beta-D-Glucopyranoside, (3beta,5alpha,25R)-spirostan-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-3)-O-(O-beta-D-xylopyranosyl-(1-4)-6-deoxy-alpha-L-manopyranosyl-(1-2))-
Molecular Formula: | C62H102O30 | Molecular Weight: | 1327.455280 [g/mol] | H-Bond Donor: | 16 | H-Bond Acceptor: | 30 |
InChIKey: NAQDYYJRPQGJHX-UHFFFAOYSA-N
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(3 suppliers)
Synonyms: Agavoside I, CID3085146
Molecular Formula: | C74H122O41 | Molecular Weight: | 1667.735880 [g/mol] | H-Bond Donor: | 23 | H-Bond Acceptor: | 41 |
InChIKey: CBAAURVXZXOKCC-LKICMATPSA-N
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(3 suppliers)
IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5,6,7-trimethoxychromen-4-one | CAS Registry Number: 106636-80-0
Synonyms: Ageconyflavone A, 3',4'-Methylenedioxy-5,6,7-trimethoxyflavone, LMPK12111248, HE293381
Molecular Formula: | C19H16O7 | Molecular Weight: | 356.330 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 7 |
InChIKey: UWMIBQBUKOVZNB-UHFFFAOYSA-N
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(0 suppliers)
IUPAC Name: 5,6,7,8-tetramethoxy-2-(2,3,4,5-tetramethoxyphenyl)chromen-4-one | CAS Registry Number: 87402-96-8
Synonyms: NSC685705, AC1L8Y0V, CHEMBL1994389, CTK8D0601, LMPK12111506, NSC-685705, HE399980, NCI60_030816, 5,6,7,8-tetramethoxy-2-(2,3,4,5-tetramethoxyphenyl)chromen-4-one, 5,6,7,8-tetramethoxy-2-(2,3,4,5-tetramethoxyphenyl)-4h-chromen-4-one
Molecular Formula: | C23H26O10 | Molecular Weight: | 462.451 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 10 |
InChIKey: FQTCPUGUEKKPCH-UHFFFAOYSA-N
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(3 suppliers)
IUPAC Name: 2-[2-[(2E,6E)-3,7-dimethyl-9-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]nona-2,6-dienyl]sulfonylethyl]guanidine | CAS Registry Number: 96617-52-6
Synonyms: Agelasidine C, Agd-C, CHEBI:701837, CID6438666, Guanidine, (2-((3,7-dimethyl-9-(1,2,6-trimethyl-2-cyclohexen-1-yl)-2,6-nonadienyl)sulfonyl)ethyl)-, (1S-(1alpha(2E,6E),6beta))-
Molecular Formula: | C23H41N3O2S | Molecular Weight: | 423.655540 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 5 |
InChIKey: ZKAIIIOGWKNEAA-DEWOAGJPSA-N
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(5 suppliers)
IUPAC Name: 2-[2-[(2E,6E)-3-(hydroxymethyl)-7-methyl-9-[(1R,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]nona-2,6-dienyl]sulfonylethyl]guanidine | CAS Registry Number: 139680-61-8
Synonyms: Agelasidine D, CID6439423, (1R-(1alpha(2E,6E),6beta))-(2-((3-(Hydroxymethyl)-7-methyl-9-(1,2,6-trimethyl-2-cyclohexen-1-yl)-2,6-nonadienyl)sulfonyl)ethyl)guanidine, (2-((3-(Hydroxymethyl)-7-methyl-9-(1,2,6-trimethyl-2-cyclohexen-1-yl)-2,6-nonadienyl)sulfonyl)ethyl)guanidine (1R-(1alpha(2E,6E),6beta))-, Guanidine, (2-((3-(hydroxymethyl)-7-methyl-9-(1,2,6-trimethyl-2-cyclohexen-1-yl)-2,6-nonadienyl)sulfonyl)ethyl)-, (1R-(1alpha(2E,6E),6beta))-
Molecular Formula: | C23H41N3O3S | Molecular Weight: | 439.654940 [g/mol] | H-Bond Donor: | 3 | H-Bond Acceptor: | 6 |
InChIKey: ZWSGURSNDHDWDQ-MMYYNYMCSA-N
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(6 suppliers)
IUPAC Name: (4aS,7R,8S,8aR)-4,4,7,8-tetramethyl-8-[(E)-3-methyl-5-(3-methyl-6-methyliminopurin-7-yl)pent-3-enyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-4a-ol | CAS Registry Number: 114216-85-2
Synonyms: Agelasimine A, CID6444146, 4a(2H)-Naphthalenol, 1-(5-(3,6-dihydro-3-methyl-6-(methylimino)-7H-purin-7-yl)-3-methyl-3-pentenyl)octahydro-1,2,5,5-tetramethyl-, (1alpha(3E),2beta,4abeta)-(+)-
Molecular Formula: | C27H43N5O | Molecular Weight: | 453.663220 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 5 |
InChIKey: YVDWEKJDGYJOJU-SCWOSNGDSA-N
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(5 suppliers)
IUPAC Name: (4aS,7R,8S,8aR)-8-[(E)-5-(6-imino-1,3-dimethyl-2H-purin-7-yl)-3-methylpent-3-enyl]-4,4,7,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-4a-ol | CAS Registry Number: 114216-87-4
Synonyms: Agelasimine B, CID6444147, 4a(2H)-Naphthalenol, octahydro-1,2,5,5-tetramethyl-1-(3-methyl-5-(1,2,3,6-tetrahydro-6-imino-1,3-dimethyl-7H-purin-7-yl)-3-pentenyl)-, (1alpha(3E),2beta,4abeta)-(+)-
Molecular Formula: | C27H45N5O | Molecular Weight: | 455.679100 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 5 |
InChIKey: UMYDEMPHXCZYBB-SCWOSNGDSA-N
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(3 suppliers)
IUPAC Name: 7-[(E)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl]-9-methylpurin-9-ium-6-amine | CAS Registry Number: 92664-76-1
Synonyms: Agelasine B, Ags-B, CHEBI:603507, CID6439899, 7H-Purinium, 6-amino-9-methyl-7-(3-methyl-5-(1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)-2-pentenyl)-, (1S-(1alpha(E),2beta,4abeta,8aalpha))-
Molecular Formula: | C26H40N5+ | Molecular Weight: | 422.629300 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 3 |
InChIKey: YCSGSEAQYPDNAQ-FGOPRVDBSA-N
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(3 suppliers)
IUPAC Name: 7-[(2E,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dienyl]-9-methylpurin-9-ium-6-amine | CAS Registry Number: 92599-00-3
Synonyms: Agelasine E, ZINC14415425
Molecular Formula: | C26H40N5+ | Molecular Weight: | 422.641 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 3 |
InChIKey: PPCBHTAMQFLZHZ-DYKJIVJTSA-N
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(6 suppliers)
IUPAC Name: [(4aS,5R,6S,8aR)-5-[(E)-5-(6-amino-9-methyl-7,8-dihydropurin-7-ium-7-yl)-3-methylpent-3-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl 4-bromo-1H-pyrrole-2-carboxylate | CAS Registry Number: 142808-37-5
Synonyms: Agelasine G, CID6439452, 7H-Purinium, 6-amino-7-(5-(5-((((4-bromo-1H-pyrrol-2-yl)carbonyl)oxy)methyl)-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a-trimethyl-1-naphthalenyl)-3-methyl-2-pentenyl)-9-methyl-, (1R-(1alpha(E),2beta,4aalpha,8aalpha))-
Molecular Formula: | C31H44BrN6O2+ | Molecular Weight: | 612.624060 [g/mol] | H-Bond Donor: | 3 | H-Bond Acceptor: | 6 |
InChIKey: CFXKQCPPCNHNCZ-DAYZJRKYSA-O
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(5 suppliers)
IUPAC Name: 7-[5-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpent-2-enyl]-9-methylpurin-9-ium-6-amine;chloride | CAS Registry Number: 92664-80-7
Synonyms: Agelasine D, AGN-PC-00FWWM, CTK8F7615, AG-H-79531, 7-[(E)-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl]-9-methylpurin-9-ium-6-amine;chloride
Molecular Formula: | C26H40ClN5 | Molecular Weight: | 458.082300 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 4 |
InChIKey: VKMLEXNPDUMVEC-UHFFFAOYSA-M
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(5 suppliers)
IUPAC Name: N-[3,4-dihydroxy-16-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]-2-hydroxytetracosanamide | CAS Registry Number: 152139-44-1
Synonyms: Agelasphin 11, Agelasphin-11, Agl-11, CID132941, N-(1-((alpha-D-Galactopyranosyloxy)methyl)-2,3-dihydroxy-15-methylheptadecyl)-2-hydroxytetracosanamide, Tetracosanamide, N-(1-((alpha-D-galactopyranosyloxy)methyl)-2,3-dihydroxy-15-methylheptadecyl)-2-hydroxy-
Molecular Formula: | C49H97NO10 | Molecular Weight: | 860.295180 [g/mol] | H-Bond Donor: | 8 | H-Bond Acceptor: | 10 |
InChIKey: CWDKQZNZOJUUBP-DPNOIICRSA-N
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