TPCN04052
Name | 3-O-??-D-xylopyranosyl-(1??2)-??-L-arabinopyranosyl-(1??3)-[??-Dglucuronopyranosyl-(1??2)]-??-D-glucuronopyranosyl-22??-angeloyloxyolean-12-ene15??,16??,28-triol |
Molecular Formula | C57H90O25 |
Molecular Weight | 1175.32 |
CAS Registry Number | 1929559-02-3 |
SMILES | CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C12CO |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Theaceae | Camellia oleifera | Stems | 0.000105% | Nat Prod Res, 2016, 30, 1484-1492. | 10.1080/14786419.2015.1113529 |
Properties
HBA | 25 | HBD | 14 |
HeavyAtoms | 82 | AlogP | -1.76 |
TPSA | 400.43 | RotatableBonds | 13 |
FractionCSP3 | 0.89 | Rings | 9 |
AromaticRings | 0 | AliphaticRings | 9 |