TPCN05627

Name Gordonsaponin D
Molecular Formula C53H86O23
Molecular Weight 1091.25
CAS Registry Number 1417886-17-9
SMILES CC1(C)CCC2(CO)C(O)CC3(C)C(=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)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Theaceae Gordonia kwangsiensis Stems 0.000061% Phytochemistry. 2013. 85, 167-174. 10.1016/j.phytochem.2012.08.019
Properties
HBA 23 HBD 14
HeavyAtoms 76 AlogP -1.86
TPSA 374.13 RotatableBonds 12
FractionCSP3 0.94 Rings 9
AromaticRings 0 AliphaticRings 9