TPCN04956

Name Saponin 4
Molecular Formula C42H66O13
Molecular Weight 778.98
CAS Registry Number 51161-56-9
SMILES CC1OC(OC2C(O)C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)C)OC(C(=O)O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Opiliaceae Opilia celtidifolia Aerial parts 0.003700% Phytochemistry 33, 657-661 (1993) 10.1016/0031-9422(93)85468-7
Properties
HBA 13 HBD 7
HeavyAtoms 55 AlogP 4.00
TPSA 212.67 RotatableBonds 6
FractionCSP3 0.90 Rings 7
AromaticRings 0 AliphaticRings 7