TPCN05509
Name | Silenorubicosides B |
Molecular Formula | C76H116O40 |
Molecular Weight | 1669.72 |
CAS Registry Number | 857411-55-3 |
SMILES | CC(=O)OCC1OC(OC2C(OC(C)=O)C(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)CC4O)C2OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OC(C)=O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Caryophyllaceae | Silene rubicunda | Roots | 0.000350% | J Nat Prod. 2005. 68, 754-758. | 10.1021/np049586j. |
Properties
HBA | 40 | HBD | 17 |
HeavyAtoms | 116 | AlogP | -5.27 |
TPSA | 603.24 | RotatableBonds | 21 |
FractionCSP3 | 0.89 | Rings | 12 |
AromaticRings | 0 | AliphaticRings | 12 |