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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004458

7-[(E)-5-[(1R,3R,6S)-6-hydroxy-2,2,6-trimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]-3-methylpent-2-enoxy]chromen-2-one

Formula: C30H42O10  |  Mol. Weight: 562.60 g/mol

IUPAC: 7-[(E)-5-[(1R,3R,6S)-6-hydroxy-2,2,6-trimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]-3-methylpent-2-enoxy]chromen-2-one

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Overview

Molecular Formula C30H42O10
Molecular Weight 562.60 g/mol
Canonical SMILES CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)CCC3C(C(CCC3(C)O)OC4C(C(C(C(O4)CO)O)O)O)(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy