TPCN05911

Name Physenoside S3
Molecular Formula C63H102O30
Molecular Weight 1339.48
CAS Registry Number 1191300-11-4
SMILES CC1OC(OC2C(O)C(OC3C(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CC(O)C(OC8OC(CO)C(O)C(O)C8O)C(C)(CO)C7CCC6(C)C4(C)CC5)OCC(O)C3OC3OCC(O)C(O)C3O)OC(C)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Physenaceae Physena sessiliflora Leaves 0.064000% Phytochemistry . 2009 Jun;70(9):1195-1202 10.1016/j.phytochem.2009.06.002
Properties
HBA 30 HBD 17
HeavyAtoms 93 AlogP -4.47
TPSA 471.74 RotatableBonds 14
FractionCSP3 0.95 Rings 11
AromaticRings 0 AliphaticRings 11