TPCN03958
![[object Object]](../../static/browser_molecular_png/TPCN03958.png)
| Name | Quinoa saponin 2;3-O-??-D-galactopyranosyl-(1??3)-??-D-glucopyranosyl hederagenin 28-O-??-D-glu-copyranosyl ester |
| Molecular Formula | C48H78O19 |
| Molecular Weight | 959.13 |
| CAS Registry Number | 116107-22-3 |
| SMILES | CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(CO)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Amaranthaceae | Chenopodium quinoa | Seeds | 0.002333% | Phytochemistry . 2008 Jun;69(9):1919-26 | 10.1016/j.phytochem.2008.03.001 |
| Rosaceae | Rosa laevigata | Roots | 0.000233% | Molecules 13, 2229-2237 (2008). | 10.3390/molecules13092229 |
Properties
| HBA | 19 | HBD | 12 |
| HeavyAtoms | 67 | AlogP | -0.89 |
| TPSA | 315.21 | RotatableBonds | 10 |
| FractionCSP3 | 0.94 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |