TPCN05556

Name Gordonsaponin F
Molecular Formula C55H88O25
Molecular Weight 1149.28
CAS Registry Number 1417886-20-4
SMILES CC(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(O)C12CO
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Theaceae Gordonia kwangsiensis Stems 0.000153% Phytochemistry. 2013. 85, 167-174. 10.1016/j.phytochem.2012.08.019
Properties
HBA 25 HBD 14
HeavyAtoms 80 AlogP -2.32
TPSA 400.43 RotatableBonds 13
FractionCSP3 0.93 Rings 9
AromaticRings 0 AliphaticRings 9