BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006406

(2S,3R,4S,5S,6R)-2-[3-[(E)-2-[(2R,3R)-3-(3,4-dihydroxyphenyl)-2-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydro-1,4-benzodioxin-6-yl]ethenyl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C40H42O18  |  Mol. Weight: 810.70 g/mol

IUPAC: (2S,3R,4S,5S,6R)-2-[3-[(E)-2-[(2R,3R)-3-(3,4-dihydroxyphenyl)-2-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydro-1,4-benzodioxin-6-yl]ethenyl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

3D View Find Similar

Overview

Molecular Formula C40H42O18
Molecular Weight 810.70 g/mol
Canonical SMILES C1=CC2=C(C=C1C=CC3=CC(=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)O)OC(C(O2)C5=CC(=CC(=C5)OC6C(C(C(C(O6)CO)O)O)O)O)C7=CC(=C(C=C7)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy