TPCN04816

Name Pittangretoside A
Molecular Formula C57H90O25
Molecular Weight 1175.32
CAS Registry Number 1593946-54-3
SMILES CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(CO)C(O)C7O)C(OC7OCC(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
Pittosporaceae Pittosporum angustifolium Leaves 0.114286% Planta Med 79, 1461-1469 (2013) 10.1055/s-0033-1350806
Properties
HBA 25 HBD 14
HeavyAtoms 82 AlogP -1.76
TPSA 400.43 RotatableBonds 14
FractionCSP3 0.89 Rings 9
AromaticRings 0 AliphaticRings 9