TPCN03884
![[object Object]](../../static/browser_molecular_png/TPCN03884.png)
| Name | 3-O-??-Dgalactopyranosyl-(1??3)-??-D-glucopyranosyl phytolaccagenic acid 28-O-??-D-glucopyranosyl ester;Quinoa saponin 5 |
| Molecular Formula | C49H78O21 |
| Molecular Weight | 1003.14 |
| CAS Registry Number | 116107-24-5 |
| SMILES | COC(=O)C1(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 | 0.002667% | Phytochemistry . 2008 Jun;69(9):1919-26 | 10.1016/j.phytochem.2008.03.001 |
| Rosaceae | Rosa laevigata | Roots | 0.000400% | Molecules 13, 2229-2237 (2008). | 10.3390/molecules13092229 |
Properties
| HBA | 21 | HBD | 12 |
| HeavyAtoms | 70 | AlogP | -1.73 |
| TPSA | 341.51 | RotatableBonds | 11 |
| FractionCSP3 | 0.92 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |