Ingredients

Ajugamarin

C29H40O10

Basic Information

Grouped by core information, identifiers, and descriptions.

Name: Ajugamarin
Molecular Formula: C29H40O10
Molecular Weight: No data
Canonical SMILES: CC=C(C)C(=O)OC1CCC2(CO2)C3(C1C(C(CC3OC(=O)C)C)(C)CC(C4=CC(=O)OC4)O)COC(=O)C
Isomeric SMILES: C/C=C(\C)/C(=O)O[C@@H]1CC[C@]2(CO2)[C@]3([C@H]1[C@@]([C@@H](C[C@@H]3OC(=O)C)C)(C)CC(C4=CC(=O)OC4)O)COC(=O)C
InChI: InChI=1S/C29H40O10/c1-7-16(2)26(34)39-22-8-9-28(14-37-28)29(15-36-18(4)30)23(38-19(5)31)10-17(3)27(6,25(22)29)12-21(32)20-11-24(33)35-13-20/h7,11,17,21-23,25,32H,8-10,12-15H2,1-6H3/b16-7+/t17-,21?,22-,23+,25-,27+,28+,29-/m1/s1
Oral Bioavailability: 28.394
Drug Likeness: 0.209
DL Score: No data
Caco-2 Permeability: No data
ALogP: No data
Bioavailability Score: No data