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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008322

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid

Formula: C27H28O17  |  Mol. Weight: 624.50 g/mol

IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid

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Overview

Molecular Formula C27H28O17
Molecular Weight 624.50 g/mol
Canonical SMILES C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy