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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001108

(4R,5R)-1,5-bis(3,4-dimethoxyphenyl)-5-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-1-one

Formula: C28H38O12  |  Mol. Weight: 566.60 g/mol

IUPAC: (4R,5R)-1,5-bis(3,4-dimethoxyphenyl)-5-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-1-one

Overview

Molecular Formula C28H38O12
Molecular Weight 566.60 g/mol
Canonical SMILES COC1=C(C=C(C=C1)C(C(CCC(=O)C2=CC(=C(C=C2)OC)OC)OC3C(C(C(C(O3)CO)O)O)O)OC)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy