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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020279

(2S,3R)-2-[4-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2,6-dimethoxyphenoxy]-3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propyl beta-D-glucopyranoside

Formula: C33H36O16  |  Mol. Weight: 688.60 g/mol

IUPAC: 5,7-dihydroxy-2-[4-[(1R,2S)-1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]oxy-3,5-dimethoxyphenyl]chromen-4-one

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Overview

Molecular Formula C33H36O16
Molecular Weight 688.60 g/mol
Canonical SMILES COC1=CC(=CC(=C1OC(COC2C(C(C(C(O2)CO)O)O)O)C(C3=CC(=C(C=C3)O)OC)O)OC)C4=CC(=O)C5=C(C=C(C=C5O4)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy