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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031419

[(2R,3S,4S,5R,6S)-6-[2-[3-(3,4-dihydroxyphenyl)propanoyl]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

Formula: C28H28O15  |  Mol. Weight: 604.50 g/mol

IUPAC: [(2R,3S,4S,5R,6S)-6-[2-[3-(3,4-dihydroxyphenyl)propanoyl]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

Overview

Molecular Formula C28H28O15
Molecular Weight 604.50 g/mol
Canonical SMILES C1=CC(=C(C=C1CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy