TPCN03813
![[object Object]](../../static/browser_molecular_png/TPCN03813.png)
| Name | Buddlejasaponin Ia |
| Molecular Formula | C55H92O23 |
| Molecular Weight | 1121.32 |
| CAS Registry Number | 155740-26-4 |
| 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(OC6OC(C)C(O)C(O)C6O)C(O)C5O)C4OC4OC(CO)C(O)C(O)C4O)CCC3(C)C12 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Lamiaceae | Craniotome furcata | Whole plants | 0.025600% | Nat Prod Lett. 2002. 16, 161-166. | 10.1080/10575630290004233. |
| Ranunculaceae | Thalictri herba | Aerial parts | 0.000571% | Chem Pharm Bull (Tokyo), 1994, 42, 101-104. | 10.1248/cpb.42.101 |
Properties
| HBA | 23 | HBD | 14 |
| HeavyAtoms | 78 | AlogP | -1.94 |
| TPSA | 366.29 | RotatableBonds | 13 |
| FractionCSP3 | 0.96 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |