TPCN04979
![[object Object]](../../static/browser_molecular_png/TPCN04979.png)
| Name | 3-O-b-D-glucopyranosyl-(1 ?? 2)-[b-D-glucopyranosyl-(1 ?? 6)]-b-D-glucopyr-anosyl-21,22,28-O-triacetyl-(3b,21b,22a)-olean-12-en-16-one |
| Molecular Formula | C54H84O23 |
| Molecular Weight | 1101.24 |
| CAS Registry Number | 1643982-90-4 |
| SMILES | CC(=O)OCC12C(=O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C1CC(C)(C)C(OC(C)=O)C2OC(C)=O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apiaceae | Eryngium kotschyi | Roots | 0.002850% | Phytochemistry 110, 160-165 (2015) | 10.1016/j.phytochem.2014.11.017 |
Properties
| HBA | 23 | HBD | 10 |
| HeavyAtoms | 77 | AlogP | -0.55 |
| TPSA | 353.65 | RotatableBonds | 13 |
| FractionCSP3 | 0.89 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |