TPCN02331
![[object Object]](../../static/browser_molecular_png/TPCN02331.png)
| Name | Ajugacumbins C |
| Molecular Formula | C31H42O11 |
| Molecular Weight | 590.67 |
| CAS Registry Number | 124961-68-8 |
| SMILES | CC=C(C)C(=O)OCC12C(OC(C)=O)CC(C)C(C)(CCC3=CC(=O)OC3)C1C(OC(C)=O)CC(OC(C)=O)C21CO1 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Lamiaceae | Ajuga decumbens | Whole plants | 0.002500% | Nat Prod Res 28, 196-200 (2014). | 10.1080/14786419.2013.866114 |
Properties
| HBA | 11 | HBD | 0 |
| HeavyAtoms | 42 | AlogP | 3.38 |
| TPSA | 144.03 | RotatableBonds | 9 |
| FractionCSP3 | 0.71 | Rings | 4 |
| AromaticRings | 0 | AliphaticRings | 4 |