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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP036318

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-3-yl]methoxy]oxane-3,4,5-triol

Formula: C32H42O16  |  Mol. Weight: 682.70 g/mol

IUPAC: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydro-1-benzofuran-3-yl]methoxy]oxane-3,4,5-triol

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Overview

Molecular Formula C32H42O16
Molecular Weight 682.70 g/mol
Canonical SMILES COC1=CC(=CC2=C1OC(C2COC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)OC)C=CCO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy