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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003210

(1I(2),3I(2),24S,25R)-3,24-Dihydroxyspirost-5-en-1-yl 2-O-(6-deoxy-I+/--L-mannopyranosyl)-I+/--L-arabinopyranoside

Formula: C38H60O13  |  Mol. Weight: 724.90 g/mol

IUPAC: (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S)-2-[(1S,2S,4S,4'S,5'R,6R,7S,8R,9S,12S,13R,14R,16R)-4',16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

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Overview

Molecular Formula C38H60O13
Molecular Weight 724.90 g/mol
Canonical SMILES CC1COC2(CC1O)C(C3C(O2)CC4C3(CCC5C4CC=C6C5(C(CC(C6)O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy