aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05821 | 1.28 | 365.33 | C17H13O4N6 | O=C(Cc1ccc(Nc2ncnc3c2N=C[N]3)cc1)ON1C(=O)CCC1=O |
|
AD05822 | 5.45 | 282.38 | C18H15FS | Cc1ccccc1Cc1ccc(-c2ccc(F)cc2)s1 |
|
AD05823 | 3.68 | 795.07 | C42H74O10N4 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=O)Nc2ccc(C(C)C)cc2)C(C)C(O)C1(C)O |
|
AD05824 | 0.07 | 117.11 | C3H7O2N3 | CCN(N=O)C(N)=O |
|
AD05825 | -0.21 | 216.2 | C4H13O4N2PS | COP(=O)(O)N=[S+](C)([O-])CCN |
|
AD05826 | -0.36 | 210.19 | C9H10O4N2 | CCOC(=O)C=Cc1c[nH]c(=O)[nH]c1=O |
|
AD05827 | -4.55 | 349.43 | C14H31O5N5 | CN(C)C1C(CN)OC(OC2C(N)CC(N)C(O)C2O)C(N)C1O |
|
AD05828 | -2.96 | 1076.86 | C34H43O22N6P3S3 | COP(O)(=S)OC1C2OCC1(COP(O)(=S)OC1C3OCC1(COP(O)(=S)OC1C4OCC1(CO)OC4n1cc(C)c(=O)[nH]c1=O)OC3n1cc(C)c(=O)[nH]c1=O)OC2n1cc(C)c(=O)[nH]c1=O |
|
AD05829 | -2.47 | 713.58 | C22H29O14N5P2S2 | Cc1cn(C2OC3(COP(O)(=S)OC4C5OCC4(COP(O)(O)=S)OC5n4cc(C)c(=O)[nH]c4=O)COC2C3O)c(=O)nc1N |
|
AD05830 | 2.25 | 160.17 | C10H8O2 | Oc1cc2ccccc2cc1O |