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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP017771

5-[(2R,3S,4R,5R,6S)-6-[2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-hydroxy-3-methyl-5-oxopentanoic acid

Formula: C33H40O18  |  Mol. Weight: 724.70 g/mol

IUPAC: 5-[(2R,3S,4R,5R,6S)-6-[2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-hydroxy-3-methyl-5-oxopentanoic acid

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Overview

Molecular Formula C33H40O18
Molecular Weight 724.70 g/mol
Canonical SMILES CC(CC(=O)O)(CC(=O)OC1C(OC(C(C1O)O)OC2=C(OC3=C(C2=O)C(=C(C(=C3OC)OC)OC)OC)C4=CC(=C(C=C4)OC)OC)CO)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy