TPCN02928
![[object Object]](../../static/browser_molecular_png/TPCN02928.png)
| Name | Hemsleyaconitine B |
| Molecular Formula | C32H45NO9 |
| Molecular Weight | 587.71 |
| CAS Registry Number | 1226891-95-7 |
| SMILES | CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(O)(C5C6OC(=O)c5ccc(OC)c(OC)c5)C(C(O)C23)C14 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Ranunculaceae | Aconitum hemsleyanum | Roots | 0.000160% | Nat Prod Res, 1-6 (2019). | 10.1080/14786419.2018.1560292 |
Properties
| HBA | 10 | HBD | 3 |
| HeavyAtoms | 42 | AlogP | 1.73 |
| TPSA | 127.15 | RotatableBonds | 8 |
| FractionCSP3 | 0.78 | Rings | 7 |
| AromaticRings | 1 | AliphaticRings | 6 |