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