TPCN03689
![[object Object]](../../static/browser_molecular_png/TPCN03689.png)
| Name | Calendasaponins A |
| Molecular Formula | C54H86O24 |
| Molecular Weight | 1119.26 |
| CAS Registry Number | 358732-31-7 |
| SMILES | CC1(C)C=C2C3CCC4C5(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)C5CCC4(C)C3(C)CCC2(C(=O)OC2OC(CO)C(O)C(O)C2O)CC1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Calendula officinalis | Flowers | 0.001150% | Chem Pharm Bull (Tokyo), 2001, 49, 863-870. | 10.1248/cpb.49.863 |
Properties
| HBA | 24 | HBD | 14 |
| HeavyAtoms | 78 | AlogP | -1.94 |
| TPSA | 391.20 | RotatableBonds | 12 |
| FractionCSP3 | 0.93 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |