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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008786

(2S,3S,4S,5R,6S)-6-[2-(3,4-dimethoxyphenyl)-3-hydroxy-4-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula: C29H32O18  |  Mol. Weight: 668.60 g/mol

IUPAC: (2S,3S,4S,5R,6S)-6-[2-(3,4-dimethoxyphenyl)-3-hydroxy-4-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

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Overview

Molecular Formula C29H32O18
Molecular Weight 668.60 g/mol
Canonical SMILES COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy