TPCN05481
![[object Object]](../../static/browser_molecular_png/TPCN05481.png)
| Name | Phytolaccagenic acid 3-O-[??-D-glucopyranosyl-??1'''->3''??-??-D-xylopyranosyl-??1''->2''??-??-D-glucopyranosyl]-28-O-??-D-glucopyranoside |
| Molecular Formula | C48H74O21 |
| Molecular Weight | 987.10 |
| CAS Registry Number | 329327-64-2 |
| SMILES | COC(=O)C1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6O)C(C)(CO)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Amaranthaceae | Chenopodium quinoa | Seeds | 0.000557% | J Agric Food Chem. 2001. 49, 741-746. | 10.1021/jf000971y. |
Properties
| HBA | 21 | HBD | 11 |
| HeavyAtoms | 69 | AlogP | -1.00 |
| TPSA | 338.35 | RotatableBonds | 10 |
| FractionCSP3 | 0.90 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |