TPCN03721
![[object Object]](../../static/browser_molecular_png/TPCN03721.png)
| Name | 3-O-[beta-D-glucopyranosyl (1-->3)-alpha-l-arabinopyranosyl]-echinocystic acid |
| Molecular Formula | C41H66O13 |
| Molecular Weight | 766.97 |
| CAS Registry Number | 371979-83-8 |
| SMILES | CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(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 | 0.001000% | Chem Pharm Bull (Tokyo), 2001, 49, 863-870. | 10.1248/cpb.49.863 |
Properties
| HBA | 13 | HBD | 8 |
| HeavyAtoms | 54 | AlogP | 2.49 |
| TPSA | 215.83 | RotatableBonds | 6 |
| FractionCSP3 | 0.93 | Rings | 7 |
| AromaticRings | 0 | AliphaticRings | 7 |