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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005958

(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[[6-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1,3-benzodioxol-5-yl]methyl]oxolan-2-one

Formula: C31H36O16  |  Mol. Weight: 664.60 g/mol

IUPAC: (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[[6-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1,3-benzodioxol-5-yl]methyl]oxolan-2-one

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Overview

Molecular Formula C31H36O16
Molecular Weight 664.60 g/mol
Canonical SMILES C1C(C(C(=O)O1)CC2=CC3=C(C=C2OC4C(C(C(C(O4)COC5C(C(C(O5)CO)O)O)O)O)O)OCO3)CC6=CC7=C(C=C6)OCO7

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy