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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039254

[3,4,5-Trihydroxy-6-[2-(4-hydroxyphenyl)-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-7-yl]oxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Formula: C37H38O17  |  Mol. Weight: 754.70 g/mol

IUPAC: [3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-7-yl]oxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

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Overview

Molecular Formula C37H38O17
Molecular Weight 754.70 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OC3=C(C=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)C6C(C(C(C(O6)CO)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy