TPCN06286

Name Nayabin E
Molecular Formula C36H58O12S
Molecular Weight 714.92
CAS Registry Number 2143123-45-7
SMILES CC1=CCC2(C(=O)O)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 0.000061% Phytochemistry . 2017 Nov;143:151-159 10.1016/j.phytochem.2017.08.005
Properties
HBA 12 HBD 6
HeavyAtoms 49 AlogP 3.71
TPSA 200.28 RotatableBonds 7
FractionCSP3 0.92 Rings 6
AromaticRings 0 AliphaticRings 6