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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020756

[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoate

Formula: C28H24O13  |  Mol. Weight: 568.50 g/mol

IUPAC: [(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxybenzoate

Overview

Molecular Formula C28H24O13
Molecular Weight 568.50 g/mol
Canonical SMILES C1=CC(=CC=C1C(=O)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy