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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025535

1-[3-[[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]methyl]-2,4-dihydroxy-6-methoxy-5-methylphenyl]butan-1-one

Formula: C43H42O16  |  Mol. Weight: 814.80 g/mol

IUPAC: 1-[3-[[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]methyl]-2,4-dihydroxy-6-methoxy-5-methylphenyl]butan-1-one

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Overview

Molecular Formula C43H42O16
Molecular Weight 814.80 g/mol
Canonical SMILES CCCC(=O)C1=C(C(=C(C(=C1O)CC2=C3C(=C(C=C2O)O)C(C(C(O3)C4=CC(=C(C=C4)O)O)O)C5=C(C=C(C6=C5OC(C(C6)O)C7=CC(=C(C=C7)O)O)O)O)O)C)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy