TPCN05259
![[object Object]](../../static/browser_molecular_png/TPCN05259.png)
| Name | Designated cimicifugadine |
| Molecular Formula | C35H51NO8 |
| Molecular Weight | 613.79 |
| CAS Registry Number | 936924-56-0 |
| SMILES | Cc1cc(C(O)C(C)(C)O)nc2c1C1(C)CC(O)C34CC35CCC(OC3OCC(O)C(O)C3O)C(C)(C)C5CC=C4C1(C)C2 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Ranunculaceae | Cimicifuga foetida | Subterraneous stems | 0.034000% | Org Lett. 2007. 9, 1813-1816. | 10.1021/ol070542m. Epub 2007 Mar 29 |
Properties
| HBA | 9 | HBD | 6 |
| HeavyAtoms | 44 | AlogP | 2.75 |
| TPSA | 152.73 | RotatableBonds | 4 |
| FractionCSP3 | 0.80 | Rings | 7 |
| AromaticRings | 1 | AliphaticRings | 6 |