aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD08101 | -0.45 | 155.12 | C4H5O2N5 | Nc1ncnc(N)c1[N+](=O)[O-] |
|
AD08102 | 0.1 | 118.2 | C4H10N2S | CCNC(=S)NC |
|
AD08103 | 1.02 | 205.32 | C9H19O2NS | O=CNCCCCCSCCCO |
|
AD08104 | 6.02 | 456.67 | C29H44O4 | CC1C(=O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)C(O)CC21C |
|
AD08105 | -1.91 | 192.21 | C8H16O5 | COC1C(C)C(O)C(O)C(O)C1O |
|
AD08106 | 3.1 | 1625.66 | C69H74O29N9P2Cl3 | CC(C)CC(C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)(N)C(O)C(C)O3)c3cc(Cl)c(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O)N(C)C(=O)OCOC(=O)CCC(P(=O)(O)O)P(=O)(O)O |
|
AD08107 | 2.12 | 320.34 | C16H14ON7 | Cc1ccc(Nc2nc(-n3cc(CO)cn3)nc3c2N=C[N]3)cc1 |
|
AD08108 | 4.28 | 467.12 | C15H7O2N4SBr2 | O=c1oc2c(Br)cc(Br)cc2cc1CSC1=Nc2cncnc2[N]1 |
|
AD08109 | 1.35 | 373.43 | C16H23O7NS | COc1c(O)cc(C)c(C(=O)SC2C(O)CC(ON)OC2C)c1OC |
|
AD08110 | 0.79 | 265.25 | C10H13O3N6 | CC(C)(C)OC(=O)NOc1nc(N)nc2c1N=C[N]2 |