TPCN04488

Name Palustroside III
Molecular Formula C48H76O20
Molecular Weight 973.12
CAS Registry Number 214692-99-6
SMILES CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caprifoliaceae Lomelosia stellata Whole plants 0.000459% Phytochemistry 150: 40-49. 10.1016/j.phytochem.2018.03.005
Properties
HBA 20 HBD 12
HeavyAtoms 68 AlogP -0.79
TPSA 332.28 RotatableBonds 10
FractionCSP3 0.92 Rings 8
AromaticRings 0 AliphaticRings 8