TPCN03548
Name | Quinoa saponin 8;Phytolaccagenic acid 3-O-[??-D-glucopyranosyl-(1??????->2????)-??-D-glucopyranosyl-(1????-??3??)-a-L-arabinopyranosyl]-28-O-??-D-glucopyranoside;3-O-??-D-glucopyranosyl-(1??2)-??-D-glucopyranosyl-(1??3)-??-L-arabinopyranosyl phytolaccagenic acid 28-O-??-D-glucopyranosyl ester |
Molecular Formula | C54H86O25 |
Molecular Weight | 1135.26 |
CAS Registry Number | 128887-87-6 |
SMILES | COC(=O)C1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7OC7OC(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 | 0.004000% | Phytochemistry . 2008 Jun;69(9):1919-26 | 10.1016/j.phytochem.2008.03.001 |
Symplocaceae | Symplocos lancifolia | Leaves | 0.002833% | J Nat Prod, 2011, 74, 163-169. | 10.1021/np100502y |
Amaranthaceae | Chenopodium quinoa | Seeds | 0.001759% | 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 |