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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018826

[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-[3-hydroxy-4-[(E)-2-propanoyloxyethenoxy]phenyl]-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate

Formula: C33H30O18  |  Mol. Weight: 714.60 g/mol

IUPAC: [(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-[3-hydroxy-4-[(E)-2-propanoyloxyethenoxy]phenyl]-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate

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Overview

Molecular Formula C33H30O18
Molecular Weight 714.60 g/mol
Canonical SMILES CCC(=O)OC=COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy