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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002112

Irilone 4a(2)-O-I(2)-D-glucopyranoside

Formula: C22H20O11  |  Mol. Weight: 460.40 g/mol

IUPAC: 9-hydroxy-7-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-[1,3]dioxolo[4,5-g]chromen-8-one

Overview

Molecular Formula C22H20O11
Molecular Weight 460.40 g/mol
Canonical SMILES C1OC2=C(O1)C(=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy