TPCN06320

Name Nayabin F
Molecular Formula C42H68O20S2
Molecular Weight 957.12
CAS Registry Number 2143123-46-8
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)C6OS(=O)(=O)O)C5CCC43C)C2C1C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Zygophyllaceae Fagonia indica Whole plants 0.000040% Phytochemistry . 2017 Nov;143:151-159 10.1016/j.phytochem.2017.08.005
Properties
HBA 20 HBD 9
HeavyAtoms 64 AlogP 0.80
TPSA 322.80 RotatableBonds 11
FractionCSP3 0.93 Rings 7
AromaticRings 0 AliphaticRings 7