TPCN05416
![[object Object]](../../static/browser_molecular_png/TPCN05416.png)
| Name | Phytolaccagenic acid 3-O-[??-D-glucopyranosyl-(1??????->3????)-??-D-xylopyranosyl-(1????->2??)-??-D-glucopyranosyl]-28-O-??-D-glucopyranoside |
| Molecular Formula | C54H86O25 |
| Molecular Weight | 1135.26 |
| CAS Registry Number | 329327-65-3 |
| 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(O)C6OC6OCC(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 | 0.001227% | J Agric Food Chem. 2001. 49, 741-746. | 10.1021/jf000971y. |
Properties
| HBA | 25 | HBD | 14 |
| HeavyAtoms | 79 | AlogP | -3.27 |
| TPSA | 400.43 | RotatableBonds | 13 |
| FractionCSP3 | 0.93 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |