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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008537

2,5-dihydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]cyclohex-4-ene-1,3-dione

Formula: C27H32O18  |  Mol. Weight: 644.50 g/mol

IUPAC: 2,5-dihydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]cyclohex-4-ene-1,3-dione

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Overview

Molecular Formula C27H32O18
Molecular Weight 644.50 g/mol
Canonical SMILES C1=CC(=CC=C1C=CC(=C2C(=C(C(=O)C(C2=O)(O)OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy