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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003874

(2S,4R,6E)-2-hydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-4-[(4-hydroxyphenyl)methyl]-2,4-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexane-1,3,5-trione

Formula: C34H38O17  |  Mol. Weight: 718.70 g/mol

IUPAC: (2S,4R,6E)-2-hydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-4-[(4-hydroxyphenyl)methyl]-2,4-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexane-1,3,5-trione

Overview

Molecular Formula C34H38O17
Molecular Weight 718.70 g/mol
Canonical SMILES C1=CC(=CC=C1CC2(C(=O)C(=C(C=CC3=CC=C(C=C3)O)O)C(=O)C(C2=O)(C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy