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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004492

methyl (2S,3S,4S,5R,6S)-5-acetyloxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylate

Formula: C24H22O12  |  Mol. Weight: 502.40 g/mol

IUPAC: methyl (2S,3S,4S,5R,6S)-5-acetyloxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylate

Overview

Molecular Formula C24H22O12
Molecular Weight 502.40 g/mol
Canonical SMILES CC(=O)OC1C(C(C(OC1OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)O)O)C(=O)OC)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy