aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12961 | 2.68 | 268.34 | C15H18N5 | Nc1nc(C#CCCC2CCCCC2)nc2c1N=C[N]2 |
|
AD12962 | 1.76 | 268.26 | C13H10O2N5 | O=C(O)Cc1ccc(Nc2ncnc3c2N=C[N]3)cc1 |
|
AD12963 | 1.19 | 323.28 | C14H14O5N3F | COc1cc(C(=O)Nc2nc(=O)[nH]cc2F)cc(OC)c1OC |
|
AD12964 | 0.89 | 107.11 | C6H5ON | O=Cc1cccnc1 |
|
AD12965 | 2.02 | 542.88 | C8H8ON3I3 | CNC(=O)c1c(I)c(N)c(I)c(N)c1I |
|
AD12966 | -0.66 | 152.13 | C7H6O3N | Nc1ccc(C(=O)[O-])c(O)c1 |
|
AD12967 | -0.85 | 155.13 | C2H5O5NS | COC(=O)NS(=O)(=O)O |
|
AD12968 | 2.57 | 1106.77 | C48H34O31 | O=C(OC1OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(Oc4c(C(=O)O)cc(O)c(O)c4O)c(O)c3O)C(=O)OC2C(OC(=O)c2cc(O)c(O)c(O)c2)C1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1 |
|
AD12969 | 2.64 | 474.46 | C22H32O8FP | COP(=O)(O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(O)CC21C |
|
AD12970 | -2.05 | 205.21 | C8H15O5N | CC(=O)NC1CC(O)C(CO)OC1O |