Ingredients

6-o-vanilloylajugol

C23H30O12

Basic Information

Grouped by core information, identifiers, and descriptions.

Name: 6-o-vanilloylajugol
Molecular Formula: C23H30O12
Molecular Weight: No data
Canonical SMILES: CC1(CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C4=CC(=C(C=C4)O)OC)O
Isomeric SMILES: C[C@@]1(C[C@H]([C@H]2[C@@H]1[C@@H](OC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC(=O)C4=CC(=C(C=C4)O)OC)O
InChI: InChI=1S/C23H30O12/c1-23(30)8-14(33-20(29)10-3-4-12(25)13(7-10)31-2)11-5-6-32-21(16(11)23)35-22-19(28)18(27)17(26)15(9-24)34-22/h3-7,11,14-19,21-22,24-28,30H,8-9H2,1-2H3/t11-,14+,15+,16+,17+,18-,19+,21-,22-,23-/m0/s1
Oral Bioavailability: 23.435
Drug Likeness: 0.263
DL Score: No data
Caco-2 Permeability: No data
ALogP: No data
Bioavailability Score: No data