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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025880

(2R,3R,4R,5S,6S)-6-[[(2R,3S,4S,6aS,6bR,8aR,12aR,14bS)-4-formyl-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-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: C42H64O16  |  Mol. Weight: 824.90 g/mol

IUPAC: (2R,3R,4R,5S,6S)-6-[[(2R,3S,4S,6aS,6bR,8aR,12aR,14bS)-4-formyl-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-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 C42H64O16
Molecular Weight 824.90 g/mol
Canonical SMILES CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C=O)OC6C(C(C(C(O6)C(=O)O)O)O)O)O)C)C)C2C1)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy