aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05701 | -1.56 | 218.2 | C7H8N9 | CN1N=C(N)C2=N[N]c3nc(NN)nc1c32 |
|
AD05702 | -2.24 | 241.21 | C8H11O4N5 | Nc1nc(O)c2c(n1)[nH]c(=O)n2CC(O)CO |
|
AD05703 | 3.65 | 248.71 | C15H13O2Cl | COc1ccc(Cc2ccc(O)cc2Cl)cc1 |
|
AD05704 | 4.5 | 872.18 | C46H73O9N5S | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCN(CCC#N)C(=S)Nc2cccc3ccccc23)C(C)C(O)C1(C)O |
|
AD05705 | -3.72 | 1413.75 | C61H100O13N22S2 | Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCCNCCCCNC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(N)C(C)C)cs2)cs1)C(C)O)C(O)c1c[nH]cn1 |
|
AD05706 | 3.39 | 359.36 | C16H26O6NP | COc1ccc(OP(=O)(NC(C(=O)OC(C)C)C(C)C)OC)cc1 |
|
AD05707 | 4.86 | 558.76 | C33H50O7 | CCCCOC(C)(C)C=CC(O)C(C)(O)C1C(O)CC2(C)C3CCc4c(cc(O)c(O)c4C)C3(C)C(=O)CC12C |
|
AD05708 | 3.99 | 310.19 | C14H7N4Cl2S | Clc1ccc(CSc2ncnc3c2N=C[N]3)c(Cl)c1 |
|
AD05709 | 4.63 | 1269.07 | C64H55O17N9Cl2 | CNCCCNC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21 |
|
AD05710 | 2.25 | 106.17 | C8H10 | CCc1ccccc1 |