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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP032195

(E)-3-[(2S,3R)-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxy-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal

Formula: C27H32O12  |  Mol. Weight: 548.50 g/mol

IUPAC: (E)-3-[(2S,3R)-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxy-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal

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Overview

Molecular Formula C27H32O12
Molecular Weight 548.50 g/mol
Canonical SMILES COC1=CC(=CC2=C1OC(C2COC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C(=C4)OC)O)OC)C=CC=O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy