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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035219

(2S,3R,4S,5S,6R)-2-[2-[(E)-2-[(2S,3R)-3-[3,5-dihydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]-4,6-dihydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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

IUPAC: (2S,3R,4S,5S,6R)-2-[2-[(E)-2-[(2S,3R)-3-[3,5-dihydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]-4,6-dihydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C40H42O18
Molecular Weight 810.70 g/mol
Canonical SMILES C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)C=CC4=C(C(=CC(=C4)O)O)OC5C(C(C(C(O5)CO)O)O)O)C6=C(C(=CC(=C6)O)O)OC7C(C(C(C(O7)CO)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy