TPCN04927

Name Saponin 3
Molecular Formula C53H84O23
Molecular Weight 1089.23
CAS Registry Number 156980-31-3
SMILES CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OC(CO)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Araliaceae Aralia taibaiensis Barks 0.005800% Fitoterapia 83, 234-240 (2012) 10.1016/j.fitote.2011.11.002
Properties
HBA 23 HBD 13
HeavyAtoms 76 AlogP -1.30
TPSA 370.97 RotatableBonds 12
FractionCSP3 0.92 Rings 9
AromaticRings 0 AliphaticRings 9