TPCN05379
Name | Junceosides C |
Molecular Formula | C64H100O31 |
Molecular Weight | 1365.47 |
CAS Registry Number | 393085-16-0 |
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(O)C2O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Caryophyllaceae | Eremogone juncea | Roots | 0.002034% | J Nat Prod. 2001. 64, 1533-1537. | 10.1021/np010353r. |
Properties
HBA | 31 | HBD | 16 |
HeavyAtoms | 95 | AlogP | -3.78 |
TPSA | 485.65 | RotatableBonds | 15 |
FractionCSP3 | 0.92 | Rings | 11 |
AromaticRings | 0 | AliphaticRings | 11 |