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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP010173

Rhaponticin 2''-O-gallate

Formula: C28H28O13  |  Mol. Weight: 572.50 g/mol

IUPAC: [(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[3-hydroxy-5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate

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Overview

Molecular Formula C28H28O13
Molecular Weight 572.50 g/mol
Canonical SMILES COC1=C(C=C(C=C1)C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy