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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006401

(2S,3R,4S,5S,6R)-2-[3-[(E)-2-[(2S,3S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-3-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-5-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-[(2S,3S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-3-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-5-yl]ethenyl]-5-hydroxyphenoxy]-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(=C(C=C1C2C(C3=C(O2)C(=CC(=C3)C=CC4=CC(=CC(=C4)OC5C(C(C(C(O5)CO)O)O)O)O)O)C6=CC(=CC(=C6)OC7C(C(C(C(O7)CO)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy