aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD24011 | 1.66 | 522.49 | C17H36O10N2P2S | COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSCCC(C)C |
|
AD24012 | 0.36 | 295.3 | C13H17O5N3 | O=C(NCCN1CCOCC1)c1cc(O)cc([N+](=O)[O-])c1 |
|
AD24013 | 0.75 | 309.32 | C14H19O5N3 | O=C(NCCCN1CCOCC1)c1cc(O)cc([N+](=O)[O-])c1 |
|
AD24014 | 0.7 | 122.15 | C7H8ON | CC(=O)c1ccc[nH+]c1 |
|
AD24015 | -0.04 | 529.13 | C8H15O14N5P4 | COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1=Nc2c(nc(N)[nH]c2=O)NC1 |
|
AD24016 | 1.4 | 356.17 | C13H8N8Br | Nc1ncnc2c1C(c1cn(-c3ccc(Br)cc3)nn1)=N[N]2 |
|
AD24017 | 0.09 | 136.22 | C5H12O2S | CSCCC(O)CO |
|
AD24018 | 2.25 | 261.35 | C13H21N6 | CCCCCCCCNC1=Nc2c(N)ncnc2[N]1 |
|
AD24019 | -2.47 | 308.14 | C6H16O9NP2 | COP(=O)(O)OP(=O)(O)OCC1[NH2+]CC(O)C1O |
|
AD24020 | 2.65 | 421.13 | C9H14O12NP3 | COP(=O)(O)OP(=O)(O)OP(=O)(O)OC(C)c1ccccc1[N+](=O)[O-] |