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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004407

(-)-Syringaresnol-4-O-|A-D-apiofuranosyl-(1 inverted exclamation marku2)-|A-D-glucopyranoside

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

IUPAC: (2R,3S,4S,5R,6S)-6-[4-[(3R,3aS,6R,6aS)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol

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Overview

Molecular Formula C33H44O17
Molecular Weight 712.70 g/mol
Canonical SMILES COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)OC5C(C(C(C(O5)CO)O)O)OC6C(C(CO6)(CO)O)O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy