TPCN04444

Name Scabiostellatoside H
Molecular Formula C48H76O20
Molecular Weight 973.12
CAS Registry Number 2229823-12-3
SMILES CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caprifoliaceae Lomelosia stellata Whole plants 0.000613% Phytochemistry 150: 40-49. 10.1016/j.phytochem.2018.03.005
Properties
HBA 20 HBD 12
HeavyAtoms 68 AlogP -0.94
TPSA 332.28 RotatableBonds 9
FractionCSP3 0.92 Rings 8
AromaticRings 0 AliphaticRings 8