TPCN04029
![[object Object]](../../static/browser_molecular_png/TPCN04029.png)
| Name | Siiinocrassulosiiides III |
| Molecular Formula | C55H86O25 |
| Molecular Weight | 1147.27 |
| CAS Registry Number | 724784-97-8 |
| SMILES | COC(=O)CC(C)(O)CC(=O)OCC1OC(OCC2OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(O)C(C)(C(=O)O)C6CCC5(C)C3(C)CC4O)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryophyllaceae | Sinocrassula asclepiadea | Roots | 0.000131% | Chem Pharm Bull (Tokyo) 52, 230-237 (2004). | 10.1248/cpb.52.230 |
Properties
| HBA | 25 | HBD | 13 |
| HeavyAtoms | 80 | AlogP | -1.57 |
| TPSA | 405.11 | RotatableBonds | 15 |
| FractionCSP3 | 0.89 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |