TPCN04989

Name Pittangretoside G
Molecular Formula C52H84O21
Molecular Weight 1045.22
CAS Registry Number 1593946-67-8
SMILES CCC(C)C(=O)OCC12C(O)CC(C)(C)CC1C1=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OCC(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Pittosporaceae Pittosporum angustifolium Leaves 0.002286% Planta Med 79, 1461-1469 (2013) 10.1055/s-0033-1350806
Properties
HBA 21 HBD 12
HeavyAtoms 73 AlogP -0.15
TPSA 341.51 RotatableBonds 12
FractionCSP3 0.92 Rings 8
AromaticRings 0 AliphaticRings 8