Ingredients

Quercetin-3-o-beta-d-glucuronide

C21H18O13

Basic Information

Grouped by core information, identifiers, and descriptions.

Name: Quercetin-3-o-beta-d-glucuronide
Molecular Formula: C21H18O13
Molecular Weight: No data
Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O
Isomeric SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O
InChI: InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1
Oral Bioavailability: 30.656
Drug Likeness: 0.223
DL Score: No data
Caco-2 Permeability: No data
ALogP: No data
Bioavailability Score: No data