TPCN05148

Name Saponin 2
Molecular Formula C48H80O19
Molecular Weight 961.15
CAS Registry Number 1402149-94-3
SMILES CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC2(COC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapindaceae Xanthoceras sorbifolia Hooks 0.000236% J Asian Nat Prod Res 14, 216-223 (2012) 10.1080/10286020.2011.641954
Properties
HBA 19 HBD 13
HeavyAtoms 67 AlogP -1.44
TPSA 318.37 RotatableBonds 10
FractionCSP3 0.96 Rings 8
AromaticRings 0 AliphaticRings 8