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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018507

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2S)-5-hydroxy-2-(2-hydroxyphenyl)-8-methoxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxane-2-carboxylic acid

Formula: C22H22O12  |  Mol. Weight: 478.40 g/mol

IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2S)-5-hydroxy-2-(2-hydroxyphenyl)-8-methoxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxane-2-carboxylic acid

Overview

Molecular Formula C22H22O12
Molecular Weight 478.40 g/mol
Canonical SMILES COC1=C(C=C(C2=C1OC(CC2=O)C3=CC=CC=C3O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy