TPCN05521
Name | Silenorubicosides A |
Molecular Formula | C79H122O41 |
Molecular Weight | 1727.80 |
CAS Registry Number | 857411-52-0 |
SMILES | CC(=O)OC1C(C)OC(OC2C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C=O)C6CCC5(C)C3(C)CC4)C(OC3OC(C)C(OC4OCC(O)C(OC5OCC(O)C(O)C5O)C4O)C(O)C3O)C2O)C(O)C1OC(C)=O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Caryophyllaceae | Silene rubicunda | Roots | 0.000313% | J Nat Prod. 2005. 68, 754-758. | 10.1021/np049586j. |
Properties
HBA | 41 | HBD | 18 |
HeavyAtoms | 120 | AlogP | -5.33 |
TPSA | 615.63 | RotatableBonds | 21 |
FractionCSP3 | 0.91 | Rings | 13 |
AromaticRings | 0 | AliphaticRings | 13 |