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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003519

1,3-benzodioxol-5-yl-[(3R,4R,5S)-5-(1,3-benzodioxol-5-yl)-4-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxolan-3-yl]methanone

Formula: C32H38O17  |  Mol. Weight: 694.60 g/mol

IUPAC: 1,3-benzodioxol-5-yl-[(3R,4R,5S)-5-(1,3-benzodioxol-5-yl)-4-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxolan-3-yl]methanone

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Overview

Molecular Formula C32H38O17
Molecular Weight 694.60 g/mol
Canonical SMILES C1C(C(C(O1)C2=CC3=C(C=C2)OCO3)COC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)C(=O)C6=CC7=C(C=C6)OCO7

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy