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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP023700

2-[4-[3-b-D-Glucopyranosyl-2,4,6-trihydroxy-5-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]phenoxy]phenyl]-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one, 9CI

Formula: C36H32O15  |  Mol. Weight: 704.60 g/mol

IUPAC: 5,7-dihydroxy-2-[4-[2,4,6-trihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenoxy]phenyl]-2,3-dihydrochromen-4-one

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Overview

Molecular Formula C36H32O15
Molecular Weight 704.60 g/mol
Canonical SMILES C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)OC4=C(C(=C(C(=C4O)C(=O)C=CC5=CC=C(C=C5)O)O)C6C(C(C(C(O6)CO)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy