aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD10871 | -2.49 | 977.68 | C30H42O17N15P3 | Cc1cn(C2CC(OP(N)(=O)OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)CC3OP(N)(=O)OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)CC3O)C(COP(N)(=O)O)O2)c(=O)[nH]c1=O |
|
AD10872 | 2.05 | 236.21 | C12H6ON5 | N#Cc1cccc(Oc2ncnc3c2N=C[N]3)c1 |
|
AD10873 | 2.53 | 234.24 | C13H8N5 | C1=Nc2c(ncnc2-c2ccc3cc[nH]c3c2)[N]1 |
|
AD10874 | -0.46 | 153.14 | C6H7O2N3 | CC(N)=C1C=NC(=O)NC1=O |
|
AD10875 | 5.3 | 463.7 | C28H49O4N | CCCCCCCCCCCCCCC(O)C(O)C(CO)NC(=O)CCCc1ccccc1 |
|
AD10876 | -0.05 | 193.21 | C9H11O2N3 | C#CCCCON=c1cc[nH]c(=O)[nH]1 |
|
AD10877 | 4.77 | 553.26 | C20H13O2N6F3I | O=C(COc1ccc(Nc2ncnc3c2N=C[N]3)cc1)Nc1ccc(I)cc1C(F)(F)F |
|
AD10878 | 1.86 | 293.72 | C11H6ON6ClS | O=C(NNc1nc(Cl)nc2c1N=C[N]2)c1ccsc1 |
|
AD10879 | 1.79 | 307.75 | C12H8ON6ClS | O=C(Cc1cccs1)NNc1nc(Cl)nc2c1N=C[N]2 |
|
AD10880 | 2.7 | 677.66 | C35H35O13N | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(NC(=O)OCc2ccc(O)cc2)C(O)C(C)O1 |