TPCN03576
![[object Object]](../../static/browser_molecular_png/TPCN03576.png)
| Name | Calendasaponins B |
| Molecular Formula | C48H76O20 |
| Molecular Weight | 973.12 |
| CAS Registry Number | 358732-32-8 |
| 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)C6O)C(C)(C)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Calendula officinalis | Flowers | 0.002400% | Chem Pharm Bull (Tokyo), 2001, 49, 863-870. | 10.1248/cpb.49.863 |
Properties
| HBA | 20 | HBD | 12 |
| HeavyAtoms | 68 | AlogP | -0.80 |
| TPSA | 332.28 | RotatableBonds | 9 |
| FractionCSP3 | 0.92 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |