aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD21801 | -0.7 | 397.22 | C10H17O8N5P2 | COP(=O)(O)OC(Cn1cnc2c(N)ncnc21)C(O)CO[PH](=O)O |
|
AD21802 | 1.62 | 410.4 | C16H12O3N9S | O=C(Nc1ccc(NS(=O)(=O)c2ncccn2)cc1)Nc1ncnc2c1N=C[N]2 |
|
AD21803 | 2.38 | 347.3 | C14H22O7NP | CCOC(=O)C(C)NP(=O)(OC)Oc1c(OC)cccc1OC |
|
AD21804 | 1.31 | 807.0 | C40H66O11N6 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(Cc2ccc(-c3cn(CC(=O)NO)nn3)cc2)C(C)C(O)C1(C)O |
|
AD21805 | 2.17 | 307.75 | C12H8ON6ClS | Cc1ccc(C(=O)NNc2nc(Cl)nc3c2N=C[N]3)s1 |
|
AD21806 | 3.27 | 472.58 | C27H36O7 | CC1C(O)CC2CC(=O)C3(O)OC(CC3C)C(C)(C)C(C=Cc3ccccc3)OC(=O)CC1O2 |
|
AD21807 | 2.92 | 452.37 | C23H16O10 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c3c(cc(O)c12)Oc1cc(O)c(O)cc1C3CO |
|
AD21808 | -3.45 | 703.78 | C29H41O8N11S | N=C(N)NCCCC1NC(=O)C(CSCc2cn(CCO)nn2)NC(=O)C(Cc2ccccc2)NC(=O)C(CC(=O)O)NC(=O)CNC1=O |
|
AD21809 | 3.82 | 532.41 | C27H16O12 | COc1ccc(O)c2c(=O)c3c(O)c(-c4cc(O)c5oc6cc(O)cc(O)c6c(=O)c5c4O)c(O)cc3oc12 |
|
AD21810 | 3.22 | 478.49 | C24H30O10 | COc1c(O)cc(C2OCC3C(c4cc(O)c(OC)c(OC)c4OC)OCC23)c(OC)c1OC |