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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020543

6-{[4,4,6A,6B,11,11,14B-Heptamethyl-8A-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-YL]oxy}carbonyl)-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-tetradecahydropicen-3-YL]oxy}-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-YL]oxy}oxane-2-carboxylic acid

Formula: C48H76O19  |  Mol. Weight: 957.10 g/mol

IUPAC: 6-[[4,4,6a,6b,11,11,14b-heptamethyl-8a-[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-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid

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Overview

Molecular Formula C48H76O19
Molecular Weight 957.10 g/mol
Canonical SMILES CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy