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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009357

3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxolan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one

Formula: C28H32O16  |  Mol. Weight: 624.50 g/mol

IUPAC: 3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxolan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one

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Overview

Molecular Formula C28H32O16
Molecular Weight 624.50 g/mol
Canonical SMILES CC1C(C(C(C(O1)OCC2C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C(=C5)OC)O)OC)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy