TPCN04868

Name Saponin 1;Saponin 6
Molecular Formula C54H86O23
Molecular Weight 1103.26
CAS Registry Number 110081-91-9
SMILES CC1OC(OC2C(O)C(C(=O)O)OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OC(CO)C(O)C(O)C6O)CCC45C)C3(C)C)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Opiliaceae Opilia celtidifolia Aerial parts 0.018600% Phytochemistry 33, 657-661 (1993) 10.1016/0031-9422(93)85468-7
Opiliaceae Opilia celtidifolia Aerial parts 0.006100% Phytochemistry 33, 657-661 (1993) 10.1016/0031-9422(93)85468-7
Properties
HBA 23 HBD 13
HeavyAtoms 77 AlogP -0.92
TPSA 370.97 RotatableBonds 11
FractionCSP3 0.93 Rings 9
AromaticRings 0 AliphaticRings 9