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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039051

(2S,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14S,17S)-12-hydroxy-14-(hydroxymethyl)-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10-tetramethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C36H62O10  |  Mol. Weight: 654.90 g/mol

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

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Overview

Molecular Formula C36H62O10
Molecular Weight 654.90 g/mol
Canonical SMILES CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)CO)O)O)O)C)CC(C5C3(CCC5C6(CCC(O6)C(C)(C)O)C)CO)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy