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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031367

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

Formula: C33H44O17  |  Mol. Weight: 712.70 g/mol

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

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Overview

Molecular Formula C33H44O17
Molecular Weight 712.70 g/mol
Canonical SMILES COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C(=C3)OC)OC4C(C(C(C(O4)CO)O)O)O)OC)C=CCOC5C(C(C(C(O5)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy