Ingredients

Atractyloside i

C27H44O13

Basic Information

Grouped by core information, identifiers, and descriptions.

Name: Atractyloside i
Molecular Formula: C27H44O13
Molecular Weight: No data
Canonical SMILES: CC1=C(C(=O)CC2(C1CC(CC2)C(C)(C)OC3C(C(C(C(O3)CO)O)O)O)C)OC4C(C(C(C(O4)CO)O)O)O
Isomeric SMILES: CC1=C(C(=O)C[C@]2([C@H]1C[C@@H](CC2)C(C)(C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C27H44O13/c1-11-13-7-12(26(2,3)40-25-22(36)20(34)18(32)16(10-29)38-25)5-6-27(13,4)8-14(30)23(11)39-24-21(35)19(33)17(31)15(9-28)37-24/h12-13,15-22,24-25,28-29,31-36H,5-10H2,1-4H3/t12-,13+,15-,16-,17-,18-,19+,20+,21-,22-,24+,25+,27+/m1/s1
Oral Bioavailability: No data
Drug Likeness: 0.166
DL Score: No data
Caco-2 Permeability: No data
ALogP: No data
Bioavailability Score: No data