aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD15681 | -0.23 | 324.31 | C12H12N12 | Nc1nc2c(c(NCCNc3nc(N)nc4c3N=C[N]4)n1)N=C[N]2 |
|
AD15682 | -2.05 | 1417.07 | C67H102O19N13Cl | CC=C(NC(=O)CNC(=O)C(C)C(O)C=CC(C)=CC(C)CC)C(=O)NC(C(=O)NC(C(=O)NC1C(=O)NC(COC)C(=O)NCC(=O)NC(C)C(=O)N(C)C(C(C)O)C(=O)NC(C(OC)c2ccc(O)cc2)C(=O)N2CCC(Cl)CC2C(=O)OC1C(C)C)C(C)C(C)C(N)=O)C(C)N |
|
AD15683 | -1.17 | 302.28 | C13H18O8 | COC(=O)C1=COC(O)C2C1(O)CC(OC(C)=O)C2(C)O |
|
AD15684 | 4.48 | 452.5 | C21H26O3N9 | O=[N+]([O-])c1ccc(NCCCCCCCCCCNc2ncnc3c2N=C[N]3)c2nonc12 |
|
AD15685 | -0.55 | 426.04 | C4H14O15P4 | COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC(O)CO |
|
AD15686 | 1.17 | 273.33 | C13H23O5N | CC(OC(=O)NCCCO)C1OC2(C)CCCC1O2 |
|
AD15687 | -0.43 | 158.57 | C6H5ON3Cl | NC(=O)C1=N[N]C(CCl)=C1 |
|
AD15688 | 2.0 | 224.25 | C12H10N5 | C1=Nc2c(cnnc2NCc2ccccc2)[N]1 |
|
AD15689 | 2.73 | 370.36 | C20H18O7 | COc1cc(C2OCC3C(c4ccc5c(c4)OCO5)OC(=O)C23)ccc1O |
|
AD15690 | 6.68 | 1371.21 | C72H61O17N9Cl2 | NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)NC1CCN(Cc2ccccc2)CC1)NC3=O |