Ingredients

Grayanotoxin i

C22H36O7

Basic Information

Grouped by core information, identifiers, and descriptions.

Name: Grayanotoxin i
Molecular Formula: C22H36O7
Molecular Weight: No data
Canonical SMILES: CC(=O)OC1C2CCC3C1(CC(C4(C(C3(C)O)CC(C4(C)C)O)O)O)CC2(C)O
Isomeric SMILES: CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@H]([C@]4([C@H]([C@]3(C)O)C[C@@H](C4(C)C)O)O)O)C[C@@]2(C)O
InChI: InChI=1S/C22H36O7/c1-11(23)29-17-12-6-7-13-20(5,27)14-8-15(24)18(2,3)22(14,28)16(25)9-21(13,17)10-19(12,4)26/h12-17,24-28H,6-10H2,1-5H3/t12-,13+,14+,15+,16-,17-,19-,20-,21+,22+/m1/s1
Oral Bioavailability: 60.552
Drug Likeness: 0.402
DL Score: No data
Caco-2 Permeability: No data
ALogP: No data
Bioavailability Score: No data