aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD06121 | 2.46 | 353.45 | C15H23O3N5S | O=S(=O)([O-])CCCCCCCCCCNc1ncnc2c1N=C[N]2 |
|
AD06122 | 1.67 | 285.33 | C13H17N8 | CCCCCCc1cn(-c2nc(N)c3c(n2)[N]C=N3)nn1 |
|
AD06123 | 0.46 | 123.13 | C2H5O3NS | COSNC(=O)O |
|
AD06124 | -7.18 | 1651.89 | C75H118O22N20 | CC(C)CC(NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC(N)=O)NC(=O)C(CCC(=O)O)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)CNC(=O)C(Cc1ccccc1)N(C)C(=O)CNC(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1)C(N)=O |
|
AD06125 | 3.89 | 739.94 | C39H65O12N | C=CCCC(=O)OC1C(OC2C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(OC(=O)CCC=C)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C |
|
AD06126 | 3.24 | 250.19 | C12H11O4P | O=P(O)(Oc1ccccc1)Oc1ccccc1 |
|
AD06127 | 1.16 | 226.22 | C10H8N7 | Cn1cc(-c2cccc(C3=C[N]N=N3)n2)nn1 |
|
AD06128 | 3.01 | 349.39 | C21H19O4N | Cc1[nH]c2ccc3c(c2c(=O)c1O)C1CCC(O)C3(c2ccccc2)O1 |
|
AD06129 | 3.51 | 629.84 | C30H47O9NS2 | CC(C=CC(C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)[O-])CCC4(C)C3=CCC12C)C(C)C(=O)NCCS(=O)(=O)[O-] |
|
AD06130 | 1.78 | 309.31 | C15H13O2N6 | Nc1nc(OCCc2c[nH]c3ccc(O)cc23)nc2c1N=C[N]2 |