aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD03861 | 4.7 | 491.46 | C27H17O5N5 | O=C(Nc1ccccc1)NN1C(=O)c2c(c3c4cccc(O)c4[nH]c3c3[nH]c4c(O)cccc4c23)C1=O |
|
AD03862 | -0.2 | 336.41 | C13H24O6N2S | COCC(=O)N(CCS(=O)(=O)O)CC(=O)NC1CCCCC1 |
|
AD03863 | 0.93 | 138.17 | C8H10O2 | OCCc1ccc(O)cc1 |
|
AD03864 | 0.62 | 85.15 | C5H11N | CNCC1CC1 |
|
AD03865 | -1.01 | 220.22 | C9H16O6 | CC(OCC1OCCC(O)C1O)C(=O)O |
|
AD03866 | -0.1 | 263.12 | C5H15O7NP2 | COP(=O)(O)OP(=O)([O-])OC[N+](C)(C)C |
|
AD03867 | 0.66 | 273.18 | C10H12O6NP | COP(=O)(O)NC(C(=O)O)C(=O)c1ccccc1 |
|
AD03868 | 1.15 | 194.24 | C7H8N5S | CNc1nc(SC)nc2c1N=C[N]2 |
|
AD03869 | 4.94 | 474.68 | C29H46O5 | C=CCCCCC(=O)OCC(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C |
|
AD03870 | 0.7 | 213.31 | C9H15ON3S | CNCc1cnc(N2CCOCC2)s1 |