TPCN02338
![[object Object]](../../static/browser_molecular_png/TPCN02338.png)
| Name | Jesaconitine |
| Molecular Formula | C35H49NO12 |
| Molecular Weight | 675.77 |
| CAS Registry Number | 16298-90-1 |
| SMILES | CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)c5ccc(OC)cc5)C(C(OC)C23)C14 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Ranunculaceae | Aconitum japonicum | Subterraneous stems | 0.002401% | J Nat Med 72, 230-237 (2018). | 10.1007/s11418-017-1139-9 |
Properties
| HBA | 13 | HBD | 3 |
| HeavyAtoms | 48 | AlogP | 0.66 |
| TPSA | 162.68 | RotatableBonds | 10 |
| FractionCSP3 | 0.77 | Rings | 7 |
| AromaticRings | 1 | AliphaticRings | 6 |