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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019232

2''-Epifraxamoside

Formula: C25H30O13  |  Mol. Weight: 538.50 g/mol

IUPAC: methyl (1S,3S,7S,12S,15R,16S,17S,18R,20E)-12-(3,4-dihydroxyphenyl)-20-ethylidene-16,17,18-trihydroxy-9-oxo-2,4,10,13,19-pentaoxatricyclo[13.3.1.13,7]icos-5-ene-6-carboxylate

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Overview

Molecular Formula C25H30O13
Molecular Weight 538.50 g/mol
Canonical SMILES CC=C1C2CC(=O)OCC(OCC3C(C(C(C(O3)OC1OC=C2C(=O)OC)O)O)O)C4=CC(=C(C=C4)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy