TPCN04859

Name Saponin (9);Cyclamin
Molecular Formula C58H94O27
Molecular Weight 1223.36
CAS Registry Number 23643-76-7
SMILES CC1(C=O)CCC23COC4(CCC5C6(C)CCC(OC7OCC(OC8OC(CO)C(O)C(OC9OC(CO)C(O)C(O)C9O)C8OC8OCC(O)C(O)C8O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Primulaceae Cyclamen mirabile Subterraneous stems 0.021000% J Nat Prod 60, 315-318 (1997) 10.1021/np960658j
Primulaceae Cyclamen hederifolium Subterraneous stems 0.005280% Phytochemistry 73, 127-133 (2012). 10.1016/j.phytochem.2011.09.003
Primulaceae Ardisia japonica Whole plants 0.000411% J Nat Prod 70, 179-187 (2007). 10.1021/np0604681
Properties
HBA 27 HBD 15
HeavyAtoms 85 AlogP -4.07
TPSA 422.05 RotatableBonds 14
FractionCSP3 0.98 Rings 11
AromaticRings 0 AliphaticRings 11