TPCN04392
![[object Object]](../../static/browser_molecular_png/TPCN04392.png)
| Name | Pleurosaponin J |
| Molecular Formula | C54H88O23 |
| Molecular Weight | 1105.28 |
| CAS Registry Number | 1447451-90-2 |
| SMILES | CC1OC(OC2CCC3(C)C4=CC=C5C6CC(C)(C)CCC6(CO)C(OC6OC(CO)C(O)C(O)C6O)CC5(C)C4(C)CCC3C2(C)CO)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apiaceae | Pleurospermum kamtschaticum | Aerial parts | 0.000900% | Chem Pharm Bull (Tokyo) 60(8): 1011-1018. | 10.1248/cpb.c12-00274 |
Properties
| HBA | 23 | HBD | 15 |
| HeavyAtoms | 77 | AlogP | -2.67 |
| TPSA | 377.29 | RotatableBonds | 13 |
| FractionCSP3 | 0.93 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |