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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007059

(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8S,8aS,9S,12aS,14aR,14bR)-8,9-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula: C42H68O15  |  Mol. Weight: 813.00 g/mol

IUPAC: (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8S,8aS,9S,12aS,14aR,14bR)-8,9-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

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Overview

Molecular Formula C42H68O15
Molecular Weight 813.00 g/mol
Canonical SMILES CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C1)O)COC6C(C(C(C(O6)CO)O)O)O)O)C)C)(C)C)OC7C(C(C(C(O7)C(=O)O)O)O)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy