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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001960

(2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula: C23H22O14  |  Mol. Weight: 522.40 g/mol

IUPAC: (2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Overview

Molecular Formula C23H22O14
Molecular Weight 522.40 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy