aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD11601 | -1.89 | 301.3 | C12H19O6N3 | CN(O)CCC1C(CO)OC(n2ccc(=O)[nH]c2=O)C1O |
|
AD11602 | 0.7 | 101.17 | C4H7NS | S=CNC1CC1 |
|
AD11603 | 2.98 | 444.48 | C23H22O3N7 | O=C(COc1ccc(Nc2ncnc3c2N=C[N]3)cc1)Nc1ccc(N2CCOCC2)cc1 |
|
AD11604 | 1.71 | 267.27 | C13H11ON6 | O=C(NCc1ccccc1)Nc1ncnc2c1N=C[N]2 |
|
AD11605 | 2.88 | 403.38 | C20H15O4N6 | O=C(COc1ccc(Nc2ncnc3c2N=C[N]3)cc1)Nc1ccc2c(c1)OCO2 |
|
AD11606 | 3.25 | 923.03 | C44H50O14N4S2 | CNC(C)C1CCC(N)C(OC2C(NC(=O)OCC3c4ccccc4-c4ccc(S(=O)(=O)O)cc43)CC(NC(=O)OCC3c4ccccc4-c4ccc(S(=O)(=O)O)cc43)C(O)C2O)O1 |
|
AD11607 | -0.56 | 360.14 | C9H11ON7I | Nc1ncnc2c1N=C(NCCNC(=O)CI)[N]2 |
|
AD11608 | 2.37 | 204.22 | C12H12O3 | CCc1cc(=O)oc2c(C)c(O)ccc12 |
|
AD11609 | 0.44 | 214.0 | C5H2ON4Br | O=c1[nH]c(Br)nc2c1N=C[N]2 |
|
AD11610 | 2.35 | 148.2 | C10H12O | COCC=Cc1ccccc1 |