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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009312

(2S,3R,4S,5S,6R)-2-[4-[(E)-2-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxyphenyl]ethenyl]-3-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C31H40O18  |  Mol. Weight: 700.60 g/mol

IUPAC: (2S,3R,4S,5S,6R)-2-[4-[(E)-2-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxyphenyl]ethenyl]-3-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C31H40O18
Molecular Weight 700.60 g/mol
Canonical SMILES C1C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=CC(=C3)O)C=CC4=C(C=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)O)(CO)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy