TPCN04390

Name Saponin 7
Molecular Formula C51H88O7
Molecular Weight 813.26
CAS Registry Number 59252-96-9
SMILES CCCCCCCCCCCCCCCC(=O)OCC1OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)C=CC(CC)C(C)C)CCC43)C2)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Myrsinaceae Myrsine pellucida Barks 0.000923% Phytochemistry 37(6): 1671-1677. 10.1016/s0031-9422(00)89590-4
Properties
HBA 7 HBD 3
HeavyAtoms 58 AlogP 11.66
TPSA 105.45 RotatableBonds 23
FractionCSP3 0.90 Rings 5
AromaticRings 0 AliphaticRings 5