TPCN06005
![[object Object]](../../static/browser_molecular_png/TPCN06005.png)
| Name | 3-O-??-D-glucopyranosyl-(1??4)-O-??-D-glucopyranosyl-(1??4)-O-??-D-glucopyranosyl phytolaccagenic acid 28-O-??-D-glucopyranosyl ester |
| Molecular Formula | C55H88O26 |
| Molecular Weight | 1165.28 |
| CAS Registry Number | 180092-38-0 |
| SMILES | COC(=O)C1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Amaranthaceae | Chenopodium quinoa | Seeds | 0.003333% | Phytochemistry . 2008 Jun;69(9):1919-26 | 10.1016/j.phytochem.2008.03.001 |
Properties
| HBA | 26 | HBD | 15 |
| HeavyAtoms | 81 | AlogP | -3.91 |
| TPSA | 420.66 | RotatableBonds | 14 |
| FractionCSP3 | 0.93 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |