BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006404

(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-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]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C41H44O18  |  Mol. Weight: 824.80 g/mol

IUPAC: (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-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]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

3D View Find Similar

Overview

Molecular Formula C41H44O18
Molecular Weight 824.80 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C=CC4=CC(=CC(=C4)OC5C(C(C(C(O5)CO)O)O)O)O)C6=CC(=CC(=C6)OC7C(C(C(C(O7)CO)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy