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 |