TPCN03711
![[object Object]](../../static/browser_molecular_png/TPCN03711.png)
| Name | Calendasaponins C |
| Molecular Formula | C54H86O25 |
| Molecular Weight | 1135.26 |
| CAS Registry Number | 358732-33-9 |
| SMILES | CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Calendula officinalis | Flowers | 0.001050% | Chem Pharm Bull (Tokyo), 2001, 49, 863-870. | 10.1248/cpb.49.863 |
Properties
| HBA | 25 | HBD | 15 |
| HeavyAtoms | 79 | AlogP | -2.97 |
| TPSA | 411.43 | RotatableBonds | 12 |
| FractionCSP3 | 0.93 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |