TPCN05291
Name | Silenoside C |
Molecular Formula | C71H102O31 |
Molecular Weight | 1451.57 |
CAS Registry Number | 241485-62-1 |
SMILES | COc1ccc(C=CC(=O)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(O)C(O)C2O)cc1 |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Caryophyllaceae | Silene vulgaris | Roots | 0.007800% | J Nat Prod. 1999. 62, 717-721. | 10.1021/np980505r. |
Properties
HBA | 31 | HBD | 13 |
HeavyAtoms | 102 | AlogP | -0.43 |
TPSA | 468.33 | RotatableBonds | 18 |
FractionCSP3 | 0.79 | Rings | 11 |
AromaticRings | 1 | AliphaticRings | 10 |