TPCN06323

Name Nayabin B
Molecular Formula C36H58O13S
Molecular Weight 730.91
CAS Registry Number 2143123-42-4
SMILES CC1(CO)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OS(=O)(=O)O)C(C)(CO)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Zygophyllaceae Fagonia indica Whole plants 0.000039% Phytochemistry . 2017 Nov;143:151-159 10.1016/j.phytochem.2017.08.005
Properties
HBA 13 HBD 7
HeavyAtoms 50 AlogP 2.26
TPSA 220.51 RotatableBonds 7
FractionCSP3 0.92 Rings 6
AromaticRings 0 AliphaticRings 6