TPCN04537

Name Impatienoside E
Molecular Formula C61H98O30
Molecular Weight 1311.43
CAS Registry Number 1161733-95-4
SMILES CC(=O)OC1C(OC2OCC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)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)C2CC1(C)C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Balsaminaceae Impatiens siculifer Whole plants 0.000320% Phytochemistry 70(6): 816-821. 10.1016/j.phytochem.2009.03.022
Properties
HBA 30 HBD 17
HeavyAtoms 91 AlogP -4.49
TPSA 479.58 RotatableBonds 16
FractionCSP3 0.93 Rings 10
AromaticRings 0 AliphaticRings 10