TPCN04694

Name Saponin 2;Junceosides A;Saponin 10
Molecular Formula C70H110O36
Molecular Weight 1527.61
CAS Registry Number 133632-80-1
SMILES CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC4(C)C2(C)CC3)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryophyllaceae Gypsophila arrostii Barks 0.003429% Bioorg Med Chem 21, 1279-1283 (2013). 10.1016/j.bmc.2012.12.036
Caryophyllaceae Eremogone juncea Roots 0.002034% J Nat Prod. 2001. 64, 1533-1537. 10.1021/np010353r.
Caryophyllaceae Gypsophila oldhamiana Roots 0.000100% Bioorg Med Chem 16(6): 2912-2920. 10.1016/j.bmc.2007.12.053
Properties
HBA 36 HBD 19
HeavyAtoms 106 AlogP -5.96
TPSA 564.80 RotatableBonds 18
FractionCSP3 0.93 Rings 12
AromaticRings 0 AliphaticRings 12