TPCN05877
![[object Object]](../../static/browser_molecular_png/TPCN05877.png)
| Name | Cimitriteromone C |
| Molecular Formula | C53H74O18 |
| Molecular Weight | 999.16 |
| CAS Registry Number | 2245241-46-5 |
| SMILES | COc1c2c(cc3oc(COC4OC(COC(=O)CC(C)C5C(=O)CC6(C)C7CCC8C(C)(C)C(OC9OCC(O)C(O)C9O)CCC89CC79CCC56C)C(O)C(O)C4O)cc(=O)c13)OC(C(C)(C)O)C2 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Ranunculaceae | Cimicifuga foetida | Subterraneous stems | 0.000022% | J Org Chem. 2018 Sep 7;83(17):10359-10369. | 10.1021/acs.joc.8b01466. |
Properties
| HBA | 18 | HBD | 7 |
| HeavyAtoms | 71 | AlogP | 3.21 |
| TPSA | 270.57 | RotatableBonds | 12 |
| FractionCSP3 | 0.79 | Rings | 10 |
| AromaticRings | 2 | AliphaticRings | 8 |