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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025415

beta-D-Glucopyranosiduronic acid,(3beta,4alpha)-17-carboxy-23-hydroxy-28-norolean-12-en-3-yl 3-O-((1S,2S)-2-carboxy-1-(carboxymethoxy)-2-hydroxyethyl)-

Formula: C41H62O16  |  Mol. Weight: 810.90 g/mol

IUPAC: (2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8aS,12aR,14aR,14bR)-8a-carboxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2R)-2-carboxy-1-(carboxymethoxy)-2-hydroxyethoxy]-3,5-dihydroxyoxane-2-carboxylic acid

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Overview

Molecular Formula C41H62O16
Molecular Weight 810.90 g/mol
Canonical SMILES CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(C(O6)C(=O)O)O)OC(C(C(=O)O)O)OCC(=O)O)O)C)C)C2C1)C)C(=O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy