TPCN04296
![[object Object]](../../static/browser_molecular_png/TPCN04296.png)
| Name | Pleurosaponin I;Clinopodiside II |
| Molecular Formula | C48H78O18 |
| Molecular Weight | 943.13 |
| CAS Registry Number | 651733-53-8 |
| SMILES | CC1OC(OC2CCC3(C)C4=CC=C5C6CC(C)(C)CCC6(CO)C(O)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 | 0.002050% | Chem Pharm Bull (Tokyo) 60(8): 1011-1018. | 10.1248/cpb.c12-00274 |
| Lamiaceae | Clinopodium polycephalum | Aerial parts | 0.000350% | J Asian Nat Prod Res . 2017 Jul;19(7):697-703 | 10.1080/10286020.2016.1254199 |
Properties
| HBA | 18 | HBD | 12 |
| HeavyAtoms | 66 | AlogP | -0.50 |
| TPSA | 298.14 | RotatableBonds | 10 |
| FractionCSP3 | 0.92 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |