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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP023898

(3I(2),5I+/-)-3-[[2-O-(6-Deoxy-I+/--L-mannopyranosyl)-I(2)-D-glucopyranosyl]oxy]-22,26-epoxy-26-hydroxycholest-7-en-6-one

Formula: C39H62O13  |  Mol. Weight: 738.90 g/mol

IUPAC: 3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-17-[1-(6-hydroxy-5-methyloxan-2-yl)ethyl]-10,13-dimethyl-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one

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Overview

Molecular Formula C39H62O13
Molecular Weight 738.90 g/mol
Canonical SMILES CC1CCC(OC1O)C(C)C2CCC3C2(CCC4C3=CC(=O)C5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)C)O)O)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy