TPCN04443

Name Scabiostellatoside G
Molecular Formula C54H86O25
Molecular Weight 1135.26
CAS Registry Number 2229823-11-2
SMILES CC1(C)CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4O)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 0.000613% Phytochemistry 150: 40-49. 10.1016/j.phytochem.2018.03.005
Properties
HBA 25 HBD 15
HeavyAtoms 79 AlogP -2.97
TPSA 411.43 RotatableBonds 13
FractionCSP3 0.93 Rings 9
AromaticRings 0 AliphaticRings 9