aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD03111 | -1.05 | 218.26 | C8H18O3N4 | CCOC(=O)C(N)CCCNC(N)=NO |
|
AD03112 | 6.29 | 486.74 | C31H50O4 | COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(CO)C4CCC3(C)C1(C)CC2 |
|
AD03113 | 1.06 | 174.21 | C9H10N4 | Cn1cc(-c2ccccc2N)nn1 |
|
AD03114 | 2.64 | 264.37 | C15H24O2N2 | CC(C)N(C)CCCNC(=O)OCc1ccccc1 |
|
AD03115 | 3.31 | 412.55 | C21H32O6S | CC(=O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12C |
|
AD03116 | 2.1 | 245.31 | C12H17N6 | Nc1nc(NC2CCCCCC2)nc2c1N=C[N]2 |
|
AD03117 | 0.13 | 150.14 | C6H6ON4 | COc1ccc2nncn2n1 |
|
AD03118 | 2.87 | 863.11 | C44H74O11N6 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)Cc3ccc(-c4cn(CCCCCC(=O)NO)nn4)cc3)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O |
|
AD03119 | 1.99 | 734.76 | C36H42O11N6 | COc1c(O)cc2cc1Oc1ccc(cc1[N+](=O)[O-])CC(NC(=O)C(N)CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC2C(NC(C)=O)C(=O)O |
|
AD03120 | 2.05 | 268.3 | C14H14ON5 | COc1cccc(CCNc2ncnc3c2N=C[N]3)c1 |