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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001428

I(2)-D-Glucopyranoside, (3I(2),5I(2),6I+/-,25S)-6-hydroxyspirostan-3-yl 4-O-(6-deoxy-I+/--L-mannopyranosyl)-

Formula: C39H64O13  |  Mol. Weight: 740.90 g/mol

IUPAC: (2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16S,18R,19S)-19-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

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Overview

Molecular Formula C39H64O13
Molecular Weight 740.90 g/mol
Canonical SMILES CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC(C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)C)O)C)C)OC1

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy