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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP024103

Isoscoparin 2''-(6-(E)-feruloylglucoside) 4'-glucoside

Formula: C44H50O24  |  Mol. Weight: 962.90 g/mol

IUPAC: [6-[2-[5,7-dihydroxy-2-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

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Overview

Molecular Formula C44H50O24
Molecular Weight 962.90 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OC3C(C(C(OC3C4=C(C5=C(C=C4O)OC(=CC5=O)C6=CC(=C(C=C6)OC7C(C(C(C(O7)CO)O)O)O)OC)O)CO)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy