TPCN02698
![[object Object]](../../static/browser_molecular_png/TPCN02698.png)
| Name | Ajuganipponin A |
| Molecular Formula | C31H42O11 |
| Molecular Weight | 590.67 |
| CAS Registry Number | 936323-13-6 |
| SMILES | CC=C(C)C(=O)OC(CC1(C)C(C)CC(OC(C)=O)C2(COC(C)=O)C1C(OC(C)=O)CCC21CO1)C1=CC(=O)OC1 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Lamiaceae | Ajuga decumbens | Whole plants | 0.000375% | 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 |