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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031446

(2R,3R,4S,5S,6R)-2-[[(2S,4aS,10aR)-5-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C32H50O13  |  Mol. Weight: 642.70 g/mol

IUPAC: (2R,3R,4S,5S,6R)-2-[[(2S,4aS,10aR)-5-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C32H50O13
Molecular Weight 642.70 g/mol
Canonical SMILES CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCC(C3(C)C)OC4C(C(C(C(O4)CO)O)O)O)C)O)OC5C(C(C(C(O5)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy