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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005362

(2R,3R,4S,5S,6R)-2-[[(1R,2S,4aR,4bR,6aS,7R,8S,10aR,10bR,12aR)-7-hydroxy-8-(hydroxymethyl)-8-[(E)-5-hydroxy-4-methylpent-3-enyl]-1,4a,10a,10b-tetramethyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C42H72O15  |  Mol. Weight: 817.00 g/mol

IUPAC: (2R,3R,4S,5S,6R)-2-[[(1R,2S,4aR,4bR,6aS,7R,8S,10aR,10bR,12aR)-7-hydroxy-8-(hydroxymethyl)-8-[(E)-5-hydroxy-4-methylpent-3-enyl]-1,4a,10a,10b-tetramethyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C42H72O15
Molecular Weight 817.00 g/mol
Canonical SMILES CC(=CCCC1(CCC2(C(C1O)CCC3C2(CCC4C3(CCC(C4(C)COC5C(C(C(C(O5)CO)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)C)CO)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy