aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12711 | -2.48 | 1458.93 | C43H59O28N20P5 | Cn1c(N)nc2c(ncn2C2CC(OP(=O)(O)OCCO)C(COP(=O)(O)OC3CC(n4cnc5c4N=CNC5N)OC3COP(=O)(O)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)(O)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)(O)O)O2)c1=O |
|
AD12712 | 2.05 | 403.43 | C20H19O2N8 | O=C(NCc1ccccc1)c1cnn(-c2nc3c(c(NC4CCCO4)n2)N=C[N]3)c1 |
|
AD12713 | 1.42 | 288.07 | C7H7N5I | CCNc1nc(I)nc2c1N=C[N]2 |
|
AD12714 | 2.02 | 186.15 | C8H11O3P | COP(=O)(O)Cc1ccccc1 |
|
AD12715 | 4.34 | 313.42 | C18H19O2NS | CNCCC(Oc1cccc2cc(O)ccc12)c1cccs1 |
|
AD12716 | 1.63 | 283.31 | C14H15ON6 | COc1ccc(CCNc2nc(N)nc3c2N=C[N]3)cc1 |
|
AD12717 | 2.11 | 162.15 | C8H5N3F | Fc1ccc(C2=C[N]N=N2)cc1 |
|
AD12718 | -1.53 | 1487.85 | C72H122O19N14 | CCC(C)C(C=O)NC(=O)C(C)(CC)NC(=O)C1CC(O)CN1C(=O)C(C)(C)NC(=O)C(C)(CC)NC(=O)C(C)(C)NC(=O)C1CC(O)CN1C(=O)C(C)(CC)NC(=O)C(CC(C)C)NC(=O)C1CC(O)CN1C(=O)C(C)(CC)NC(=O)C(CC(C)C)NC(=O)C1CC(O)CN1C(=O)C(C)(C)NC(C)=O |
|
AD12719 | -1.14 | 1501.87 | C73H124O19N14 | CCC(C)C(C=O)NC(=O)C(C)(CC)NC(=O)C1CC(O)CN1C(=O)C(C)(CC)NC(=O)C(C)(CC)NC(=O)C(C)(C)NC(=O)C1CC(O)CN1C(=O)C(C)(CC)NC(=O)C(CC(C)C)NC(=O)C1CC(O)CN1C(=O)C(C)(CC)NC(=O)C(CC(C)C)NC(=O)C1CC(O)CN1C(=O)C(C)(C)NC(C)=O |
|
AD12720 | -1.57 | 331.37 | C14H25O6N3 | COC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(C)O)C(C)C |