TPCN03026
![[object Object]](../../static/browser_molecular_png/TPCN03026.png)
| Name | N-deethyldeoxyaconitine |
| Molecular Formula | C31H43NO9 |
| Molecular Weight | 573.68 |
| CAS Registry Number | 2185868-88-4 |
| SMILES | COCC12CCC(OC)C34C5CC6(O)C(OC)C(O)C(OC)(C5C6OC(=O)c5ccccc5)C(C(OC)C13)C4NC2 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Ranunculaceae | Aconitum brachypodum | Roots | 0.000100% | J Asian Nat Prod Res 18, 908-912 (2016). | 10.1080/10286020.2016.1173677 |
Properties
| HBA | 10 | HBD | 3 |
| HeavyAtoms | 41 | AlogP | 1.03 |
| TPSA | 124.94 | RotatableBonds | 8 |
| FractionCSP3 | 0.77 | Rings | 7 |
| AromaticRings | 1 | AliphaticRings | 6 |