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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004886

[(2R)-3,4,5-trihydroxy-6-[[(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-2H-chromen-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

Formula: C43H46O17  |  Mol. Weight: 834.80 g/mol

IUPAC: [(2R)-3,4,5-trihydroxy-6-[[(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-2H-chromen-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

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Overview

Molecular Formula C43H46O17
Molecular Weight 834.80 g/mol
Canonical SMILES COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC2C(=C(C3=C(O2)C=CC(=C3O)OCC4C(CC5=CC(=C(C(=C5C4C6=CC(=C(C(=C6)OC)O)OC)OC)O)OC)CO)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy