TPCN03745

Name Saikosaponins n
Molecular Formula C48H78O18
Molecular Weight 943.13
CAS Registry Number 161068-50-4
SMILES CC1OC(OC2C(COC3OC(CO)C(O)C(O)C3O)OC(OC3CCC4(C)C(CCC5(C)C4C=CC4=C6CC(C)(C)CCC6(CO)C(O)CC45C)C3(C)CO)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapindaceae Sapindus mukorossi Fruits 0.000857% Nat Prod Res 28, 1058-1064 (2014). 10.1080/14786419.2014.905559
Properties
HBA 18 HBD 12
HeavyAtoms 66 AlogP -0.50
TPSA 298.14 RotatableBonds 10
FractionCSP3 0.92 Rings 8
AromaticRings 0 AliphaticRings 8