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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP028612

2-(3,4-Dihydroxyphenyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromenylium-5,6,7-triol

Formula: C27H31O16+  |  Mol. Weight: 611.50 g/mol

IUPAC: 2-(3,4-dihydroxyphenyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromenylium-5,6,7-triol

Overview

Molecular Formula C27H31O16+
Molecular Weight 611.50 g/mol
Canonical SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C([O+]=C4C=C(C(=C(C4=C3)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy