TPCN02460
![[object Object]](../../static/browser_molecular_png/TPCN02460.png)
| Name | Ajugamarin |
| Molecular Formula | C29H40O10 |
| Molecular Weight | 548.63 |
| CAS Registry Number | 78798-40-0 |
| SMILES | CC=C(C)C(=O)OC1CCC2(CO2)C2(COC(C)=O)C(OC(C)=O)CC(C)C(C)(CC(O)C3=CC(=O)OC3)C12 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Lamiaceae | Ajuga decumbens | Whole plants | 0.001125% | Nat Prod Res 28, 196-200 (2014). | 10.1080/14786419.2013.866114 |
Properties
| HBA | 10 | HBD | 1 |
| HeavyAtoms | 39 | AlogP | 2.80 |
| TPSA | 137.96 | RotatableBonds | 8 |
| FractionCSP3 | 0.72 | Rings | 4 |
| AromaticRings | 0 | AliphaticRings | 4 |