TPCN04246
![[object Object]](../../static/browser_molecular_png/TPCN04246.png)
| Name | 3??-[(O-??-D-glucopyranosyl-(1??2)-??-L-arabinopyranosyl)oxy]23-hydroxyolean-12-en-28-oic acid;Saponin 8;Hederagenin 3-O-??-D-glucopyranosyl- (1??2)-??-L-arabinopyranoside |
| Molecular Formula | C41H66O13 |
| Molecular Weight | 766.97 |
| CAS Registry Number | 20853-58-1 |
| SMILES | CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Berberidaceae | Caulophyllum thalictroides | Roots | 0.008000% | J Agric Food Chem . 2001 Dec;49(12):5969-74 | 10.1021/jf010814e |
| Fabaceae | Medicago hybrida | Roots | 0.006667% | J Agric Food Chem 54, 2520-2526 (2006) | 10.1021/jf0581628 |
| Berberidaceae | Caulophyllum thalictroides | Aerial parts | 0.004100% | J Nat Prod 72(6): 1155-1160. | 10.1021/np900164b |
Properties
| HBA | 13 | HBD | 8 |
| HeavyAtoms | 54 | AlogP | 2.49 |
| TPSA | 215.83 | RotatableBonds | 7 |
| FractionCSP3 | 0.93 | Rings | 7 |
| AromaticRings | 0 | AliphaticRings | 7 |