TPCN06049

Name Songarosaponin E
Molecular Formula C54H88O22
Molecular Weight 1089.28
CAS Registry Number 161842-82-6
SMILES CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC3=C5CC(C)(C)CCC5(CO)CCC34C)C2(C)CO)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Scrophulariaceae Verbascum songaricum Aerial parts 0.001875% Phytochemistry. 1995 Jul;38(1):221-4 10.1016/0031-9422(94)00607-u
Properties
HBA 22 HBD 14
HeavyAtoms 76 AlogP -1.64
TPSA 357.06 RotatableBonds 13
FractionCSP3 0.93 Rings 9
AromaticRings 0 AliphaticRings 9