Ingredients

Ajugalactone

C29H40O8

Basic Information

Grouped by core information, identifiers, and descriptions.

Name: Ajugalactone
Molecular Formula: C29H40O8
Molecular Weight: No data
Canonical SMILES: CCC1=C(C(=O)OC(C1)C(C)(C2CCC3(C2(C(=O)CC4C3=CC(=O)C5C4(CC(C(C5)O)O)C)C)O)O)C
Isomeric SMILES: CCC1=C(C(=O)O[C@H](C1)[C@@](C)([C@H]2CC[C@@]3([C@@]2(C(=O)C[C@H]4C3=CC(=O)[C@H]5[C@@]4(C[C@@H]([C@@H](C5)O)O)C)C)O)O)C
InChI: InChI=1S/C29H40O8/c1-6-15-9-24(37-25(34)14(15)2)28(5,35)22-7-8-29(36)17-10-19(30)18-11-20(31)21(32)13-26(18,3)16(17)12-23(33)27(22,29)4/h10,16,18,20-22,24,31-32,35-36H,6-9,11-13H2,1-5H3/t16-,18-,20+,21-,22-,24+,26+,27-,28+,29+/m0/s1
Oral Bioavailability: 17.325
Drug Likeness: 0.418
DL Score: No data
Caco-2 Permeability: No data
ALogP: No data
Bioavailability Score: No data