TPCN04416
![[object Object]](../../static/browser_molecular_png/TPCN04416.png)
| Name | Calendustellatoside E |
| Molecular Formula | C48H76O20 |
| Molecular Weight | 973.12 |
| CAS Registry Number | 2144472-50-2 |
| SMILES | CC1(CO)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(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 stellata | Whole plants | 0.000765% | Phytochemistry 144: 33-42. | 10.1016/j.phytochem.2017.08.015 |
Properties
| HBA | 20 | HBD | 12 |
| HeavyAtoms | 68 | AlogP | -0.79 |
| TPSA | 332.28 | RotatableBonds | 10 |
| FractionCSP3 | 0.92 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |