aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD24211 | 1.14 | 285.35 | C12H17O4N2S | C[S+](CCC(N)C(=O)O)Cc1ccccc1[N+](=O)[O-] |
|
AD24212 | -3.34 | 366.44 | C13H26O6N4S | CS(=O)(=O)NC1CC(N)C(OC2OC(CN)=CCC2N)C(O)C1O |
|
AD24213 | 1.8 | 407.55 | C23H37O5N | COCC1CCC2C1=CC1(C)C(=C(C(C)CNC(C)=O)CC1O)C(O)C(O)C2C |
|
AD24214 | 1.61 | 505.01 | C27H33O6N2Cl | O=C(NCc1ccc(CO)cc1)C1CC(O)C(OCCCl)CC1C(=O)NCc1ccc(CO)cc1 |
|
AD24215 | -0.95 | 98.11 | C3H6N4 | [NH3+]CC1=C[N]N=N1 |
|
AD24216 | 3.06 | 390.44 | C22H22O3N4 | Cc1cc2c(cc1C)N(C(=O)CCc1ccccc1)c1c([nH]c(=O)[nH]c1=O)N2C |
|
AD24217 | -1.34 | 174.2 | C6H14O2N4 | N=C(N)NCCCC(N)C(=O)O |
|
AD24218 | 11.52 | 550.87 | C40H54O | CC(C=CC=C(C)C=CC=C(C)CCCC(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=Cc1c(C)ccc(C)c1C |
|
AD24219 | 0.64 | 165.19 | C9H11O2N | NC(Cc1ccccc1)C(=O)O |
|
AD24220 | -1.44 | 412.29 | C13H21O11N2P | CC(O[PH](=O)O)C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O |