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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP017751

[5-hydroxy-4-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-7-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

Formula: C38H40O19  |  Mol. Weight: 800.70 g/mol

IUPAC: [5-hydroxy-4-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-7-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

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Overview

Molecular Formula C38H40O19
Molecular Weight 800.70 g/mol
Canonical SMILES COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2=C(C(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)O)C6C(C(C(C(O6)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy