TPCN03697
![[object Object]](../../static/browser_molecular_png/TPCN03697.png)
| Name | Buddlejusuponin Iva;Buddlejasaponin Iva |
| Molecular Formula | C49H82O19 |
| Molecular Weight | 975.18 |
| CAS Registry Number | 152020-06-9 |
| SMILES | COC1C=C2C3CC(C)(C)CCC3(CO)C(O)CC2(C)C2(C)CCC3C(C)(CO)C(OC4OC(C)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4OC4OC(CO)C(O)C(O)C4O)CCC3(C)C12 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Lamiaceae | Clinopodium chinense | Whole plants | 0.016968% | J Nat Prod 58(2): 184-188. | 10.1021/np50116a004 |
| Apiaceae | Pleurospermum kamtschaticum | Aerial parts | 0.006000% | Chem Pharm Bull (Tokyo) 60(8): 1011-1018. | 10.1248/cpb.c12-00274 |
| Araliaceae | Panax japonicus | Leaves | 0.001111% | Chem Pharm Bull (Tokyo), 2013, 61, 273-278. | 10.1248/cpb.c12-00794 |
Properties
| HBA | 19 | HBD | 12 |
| HeavyAtoms | 68 | AlogP | -0.79 |
| TPSA | 307.37 | RotatableBonds | 11 |
| FractionCSP3 | 0.96 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |