TPCN05951

Name Physenoside S6
Molecular Formula C78H128O33
Molecular Weight 1593.85
CAS Registry Number 1191300-14-7
SMILES CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(CO)C(O)C(O)C7O)C(C)(CO)C6CCC5(C)C3(C)CC4)OCC(OC(=O)CCCCCCCC(=O)CCCCCCCOC3OCC(O)C(O)C3O)C2OC2OCC(O)(CO)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Physenaceae Physena sessiliflora Leaves 0.008000% Phytochemistry . 2009 Jun;70(9):1195-1202 10.1016/j.phytochem.2009.06.002
Properties
HBA 33 HBD 17
HeavyAtoms 111 AlogP -0.67
TPSA 515.11 RotatableBonds 31
FractionCSP3 0.94 Rings 11
AromaticRings 0 AliphaticRings 11