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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000978

Olean-12-en-28-oic acid, 3-[(O-I+/--L-arabinopyranosyl-(1a2)-O-I+/--L-arabinopyranosyl-(1a6)-I(2)-D-glucopyranosyl)oxy]-16-hydroxy-21-[[(2E)-6-hydroxy-2,6-dimethyl-1-oxo-2,7-octadienyl]oxy]-, (3I(2),16I+/-,21I(2))-

Formula: C56H88O20  |  Mol. Weight: 1081.30 g/mol

IUPAC: (3S,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-3-[(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoyl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

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Overview

Molecular Formula C56H88O20
Molecular Weight 1081.30 g/mol
Canonical SMILES CC(=CCCC(C)(C=C)O)C(=O)OC1CC2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)COC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)O)O)O)C)C(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy