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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001381

(2S,3R,4R,5S,6R)-2-[2,6-dihydroxy-4-[(2R,3R)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydro-1-benzofuran-3-yl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C40H42O16  |  Mol. Weight: 778.70 g/mol

IUPAC: (2S,3R,4R,5S,6R)-2-[2,6-dihydroxy-4-[(2R,3R)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydro-1-benzofuran-3-yl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C40H42O16
Molecular Weight 778.70 g/mol
Canonical SMILES C1=CC(=CC=C1C=CC2=CC(=C(C3=C2C(C(O3)C4=CC=C(C=C4)O)C5=CC(=C(C(=C5)O)C6C(C(C(C(O6)CO)O)O)O)O)C7C(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