aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22031 | 2.38 | 333.41 | C17H19O4NS | COC(=O)c1ccc(S(=O)(=O)NCCCc2ccccc2)cc1 |
|
AD22032 | 3.59 | 247.73 | C15H14ONCl | CCc1ccc(Cc2c(O)cccc2Cl)cn1 |
|
AD22033 | 2.65 | 295.77 | C16H18O3NCl | CCCCN1C(=O)C(O)(CC(C)=O)c2cc(Cl)ccc21 |
|
AD22034 | 3.86 | 311.77 | C19H14O2NCl | CC(=O)C=C1C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21 |
|
AD22035 | -14.88 | 2717.97 | C107H195O39N37P2S | CNC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(NC(=O)CNC(=O)CNC(=O)NC(CCCCNC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(=O)O)C(C)O)C(C)O)C(C)O |
|
AD22036 | 2.21 | 270.34 | C13H12N5S | Cc1cccc(CSC2=N[N]c3ncnc(N)c32)c1 |
|
AD22037 | -0.35 | 158.14 | C7H4N5 | C#CC1=N[N]c2ncnc(N)c21 |
|
AD22038 | 2.46 | 286.38 | C17H22O2N2 | CN(CCCC(N)C(=O)O)Cc1ccc2ccccc2c1 |
|
AD22039 | 2.35 | 152.22 | C8H8OS | CC(=O)C=Cc1cccs1 |
|
AD22040 | 1.66 | 145.2 | C7H15O2N | CCCCCCOC(N)=O |