aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD02891 | 6.01 | 597.45 | C29H23O3N7Br | O=C(COc1ccc(Nc2nc(OCCc3c[nH]c4cc(Br)ccc34)nc3c2N=C[N]3)cc1)Nc1ccccc1 |
|
AD02892 | 2.78 | 687.87 | C35H61O12N | CCC(=O)OC1C(OC2C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(OC(=O)CC)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C |
|
AD02893 | -1.81 | 240.24 | C6H12O6N2S | COS(=O)(=O)NC(=O)C(N)CCC(=O)O |
|
AD02894 | 4.83 | 373.8 | C22H12O2N3Cl | CN1C(=O)c2c(c3c4cccc(Cl)c4[nH]c3c3[nH]c4ccccc4c23)C1=O |
|
AD02895 | -0.67 | 161.2 | C7H15O3N | CNC1COC(OC)CC1O |
|
AD02896 | 7.18 | 470.74 | C31H50O3 | C=C(C)C1CCC2(C(=O)OC)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12 |
|
AD02897 | -0.48 | 180.22 | C6H6N5S | C[N+]1=C[N]c2nc(N)nc([S-])c21 |
|
AD02898 | 1.35 | 316.31 | C17H16O6 | Oc1ccc(C#CCC(O)C(O)c2ccc(O)c(O)c2)cc1O |
|
AD02899 | -0.62 | 95.01 | CH4O3P | CO[PH](=O)[O-] |
|
AD02900 | 2.8 | 235.23 | C13H7ON4 | C1=Nc2c(ncnc2-c2cc3ccccc3o2)[N]1 |