TPCN03687
![[object Object]](../../static/browser_molecular_png/TPCN03687.png)
| Name | 3-O-??-L-arabinopyranosyl phytolaccagenic acid 28-O-??-D-glucopyranosyl ester;Quinoa saponin 3 |
| Molecular Formula | C42H66O15 |
| Molecular Weight | 810.98 |
| CAS Registry Number | 116128-45-1 |
| SMILES | COC(=O)C1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Amaranthaceae | Chenopodium quinoa | Seeds | 0.002000% | Phytochemistry . 2008 Jun;69(9):1919-26 | 10.1016/j.phytochem.2008.03.001 |
| Rosaceae | Rosa laevigata | Roots | 0.001167% | Molecules 13, 2229-2237 (2008). | 10.3390/molecules13092229 |
Properties
| HBA | 15 | HBD | 8 |
| HeavyAtoms | 57 | AlogP | 1.08 |
| TPSA | 242.13 | RotatableBonds | 7 |
| FractionCSP3 | 0.90 | Rings | 7 |
| AromaticRings | 0 | AliphaticRings | 7 |