aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD23011 | -1.98 | 180.23 | C4H12O2N4S | CNS(=O)(=O)CCNC(=N)N |
|
AD23012 | 2.22 | 208.25 | C8H8ON4S | [N-]=[N+]=NCC(=O)Nc1ccc(S)cc1 |
|
AD23013 | 2.19 | 567.56 | C27H32O7N3F3 | NC(=O)COC1OC(CNCc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)=CC(O)C1O |
|
AD23014 | 0.9 | 392.36 | C19H20O9 | COC(=O)C1=COC(O)C(=CC(=O)O)C1CC(=O)OCCc1ccc(O)cc1 |
|
AD23015 | 3.07 | 311.18 | C13H6N5Cl2S | Nc1ncnc2c1C(Sc1ccc(Cl)cc1Cl)=N[N]2 |
|
AD23016 | 3.44 | 472.53 | C26H32O8 | CC1(C)OC(=O)C=CC2(C)C1CC(=O)C1(C)C2CCC(C)(C(O)c2ccoc2)C12OC2C(=O)O |
|
AD23017 | 5.68 | 474.73 | C30H50O4 | CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(=O)C(C)(C)C3C(O)CC12C |
|
AD23018 | 0.87 | 241.27 | C10H11O4NS | CC(=O)C=Cc1ccc(OS(N)(=O)=O)cc1 |
|
AD23019 | 6.41 | 470.69 | C30H46O4 | CC1(C)CCC2(C(=O)O)C(=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
AD23020 | 0.26 | 237.31 | C9H13N6S | CN(C)CCSC1=N[N]c2ncnc(N)c21 |