TPCN03952

Name Congmuyanoside D
Molecular Formula C42H68O14
Molecular Weight 796.99
CAS Registry Number 943549-18-6
SMILES CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryophyllaceae Gypsophila oldhamiana Roots 0.000250% Chem Pharm Bull (Tokyo) 55, 646-650 (2007). 10.1248/cpb.55.646
Properties
HBA 14 HBD 9
HeavyAtoms 56 AlogP 1.85
TPSA 236.06 RotatableBonds 7
FractionCSP3 0.93 Rings 7
AromaticRings 0 AliphaticRings 7