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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008884

[(2S,3R,4R,5S,6S)-2-[[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl] (E)-3-phenylprop-2-enoate

Formula: C30H28O12  |  Mol. Weight: 580.50 g/mol

IUPAC: [(2S,3R,4R,5S,6S)-2-[[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl] (E)-3-phenylprop-2-enoate

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Overview

Molecular Formula C30H28O12
Molecular Weight 580.50 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)OC(=O)C=CC5=CC=CC=C5)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy