TPCN06264

Name Nayabin D
Molecular Formula C42H68O17S
Molecular Weight 877.06
CAS Registry Number 2143123-44-6
SMILES CC1=CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(COC6OC(CO)C(OS(=O)(=O)O)C(O)C6O)C5CCC43C)C2C1C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Zygophyllaceae Fagonia indica Whole plants 0.000091% Phytochemistry . 2017 Nov;143:151-159 10.1016/j.phytochem.2017.08.005
Properties
HBA 17 HBD 9
HeavyAtoms 60 AlogP 0.97
TPSA 279.43 RotatableBonds 9
FractionCSP3 0.93 Rings 7
AromaticRings 0 AliphaticRings 7