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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039231

6-[[2-[3-(6-Carboxy-3,4,5-trihydroxyoxan-2-yl)oxy-4-methoxyphenyl]-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula: C28H30O18  |  Mol. Weight: 654.50 g/mol

IUPAC: 6-[[2-[3-(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy-4-methoxyphenyl]-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

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Overview

Molecular Formula C28H30O18
Molecular Weight 654.50 g/mol
Canonical SMILES COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy