TPCN03964
![[object Object]](../../static/browser_molecular_png/TPCN03964.png)
| Name | 2'-O-acetylactein |
| Molecular Formula | C39H58O11 |
| Molecular Weight | 702.88 |
| CAS Registry Number | 345968-84-5 |
| SMILES | CC(=O)OC1C(OC2CCC34CC35CC(OC(C)=O)C3(C)C6C(C)CC7(OCC8(C)OC87)OC6CC3(C)C5CCC4C2(C)C)OCC(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Ranunculaceae | Cimicifuga foetida | Roots | 0.000222% | J Nat Prod 64, 627-629 (2001). | 10.1021/np000483k |
Properties
| HBA | 11 | HBD | 2 |
| HeavyAtoms | 50 | AlogP | 4.28 |
| TPSA | 142.51 | RotatableBonds | 4 |
| FractionCSP3 | 0.95 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |