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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP017168

[(3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(2-hydroxy-4,5-dimethoxyphenyl)-5,6-dimethoxy-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]oxolan-3-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

Formula: C39H42O19  |  Mol. Weight: 814.70 g/mol

IUPAC: [(3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(2-hydroxy-4,5-dimethoxyphenyl)-5,6-dimethoxy-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]oxolan-3-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

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Overview

Molecular Formula C39H42O19
Molecular Weight 814.70 g/mol
Canonical SMILES COC1=C(C=C(C(=C1)C2=COC3=CC(=C(C(=C3C2=O)OC)OC)OC4C(C(C(C(O4)COC5C(C(CO5)(COC(=O)C=CC6=CC=C(C=C6)O)O)O)O)O)O)O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy