TPCN05571

Name Gordonsaponin K
Molecular Formula C59H92O26
Molecular Weight 1217.36
CAS Registry Number 1417886-27-1
SMILES CC=C(C)C(=O)OC1C(OC(C)=O)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(O)C21CO
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Theaceae Gordonia kwangsiensis Stems 0.000133% Phytochemistry. 2013. 85, 167-174. 10.1016/j.phytochem.2012.08.019
Properties
HBA 26 HBD 13
HeavyAtoms 85 AlogP -1.19
TPSA 406.50 RotatableBonds 14
FractionCSP3 0.88 Rings 9
AromaticRings 0 AliphaticRings 9