Ingredients

Atractyloside a

C21H36O10

Basic Information

Grouped by core information, identifiers, and descriptions.

Name: Atractyloside a
Molecular Formula: C21H36O10
Molecular Weight: No data
Canonical SMILES: CC1(C2CC(CCC(C2CC1=O)(CO)O)C(C)(C)OC3C(C(C(C(O3)CO)O)O)O)O
Isomeric SMILES: C[C@@]1([C@@H]2C[C@@H](CC[C@@]([C@H]2CC1=O)(CO)O)C(C)(C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI: InChI=1S/C21H36O10/c1-19(2,31-18-17(27)16(26)15(25)13(8-22)30-18)10-4-5-21(29,9-23)12-7-14(24)20(3,28)11(12)6-10/h10-13,15-18,22-23,25-29H,4-9H2,1-3H3/t10-,11-,12+,13-,15-,16+,17-,18+,20+,21+/m1/s1
Oral Bioavailability: No data
Drug Likeness: 0.250
DL Score: No data
Caco-2 Permeability: No data
ALogP: No data
Bioavailability Score: No data