TPCN04597

Name Sandosaponin A
Molecular Formula C48H76O19
Molecular Weight 957.12
CAS Registry Number 135272-91-2
SMILES CC1(C)CC(=O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Balsaminaceae Impatiens siculifer Whole plants 0.000200% Phytochemistry 70(6): 816-821. 10.1016/j.phytochem.2009.03.022
Properties
HBA 19 HBD 11
HeavyAtoms 67 AlogP -0.11
TPSA 312.05 RotatableBonds 10
FractionCSP3 0.92 Rings 8
AromaticRings 0 AliphaticRings 8