TPCN05887
![[object Object]](../../static/browser_molecular_png/TPCN05887.png)
| Name | Cimitriteromone A |
| Molecular Formula | C59H84O20 |
| Molecular Weight | 1113.30 |
| CAS Registry Number | 2245241-44-3 |
| SMILES | COc1c2c(cc3oc(COC4OC(CO)C(O)C(O)C4OC(C)(C)C4OC45CC(C)C4C(CC6(C)C7CCC8C(C)(C)C(OC9OCC(O)C(O)C9O)CCC89CC79CC(OC(C)=O)C46C)O5)cc(=O)c13)OC(C(C)(C)O)C2 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Ranunculaceae | Cimicifuga foetida | Subterraneous stems | 0.000013% | J Org Chem. 2018 Sep 7;83(17):10359-10369. | 10.1021/acs.joc.8b01466. |
Properties
| HBA | 20 | HBD | 7 |
| HeavyAtoms | 79 | AlogP | 3.93 |
| TPSA | 284.49 | RotatableBonds | 12 |
| FractionCSP3 | 0.83 | Rings | 12 |
| AromaticRings | 2 | AliphaticRings | 10 |