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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008673

I(2)-D-Galactopyranoside, (1I(2),3I(2),16I(2),22S)-1-[(6-deoxy-I+/--L-mannopyranosyl)oxy]-3,22-dihydroxycholest-5-en-16-yl

Formula: C39H66O13  |  Mol. Weight: 742.90 g/mol

IUPAC: (2R,3R,4R,5R,6S)-2-[[(1R,3R,8S,9S,10R,13S,14S,16S,17R)-3-hydroxy-17-[(2S,3S)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-16-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl]oxy]-6-methyloxane-3,4,5-triol

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Overview

Molecular Formula C39H66O13
Molecular Weight 742.90 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2CC(CC3=CCC4C(C23C)CCC5(C4CC(C5C(C)C(CCC(C)C)O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy