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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038838

(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[(1R)-1-[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C38H62O16  |  Mol. Weight: 774.90 g/mol

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

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Overview

Molecular Formula C38H62O16
Molecular Weight 774.90 g/mol
Canonical SMILES CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(CO5)O)O)O)C)C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy