aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD11851 | 0.11 | 865.08 | C42H72O11N8 | O=C(CNC(=O)CN(CC(=O)NCC(=O)NCCCCCCO)C(CCCCNC(=O)OCc1ccccc1)C(=O)NCC(=O)NCCCCCCO)NCCCCCCO |
|
AD11852 | -0.9 | 85.07 | C2H3ON3 | O=c1[nH]cn[nH]1 |
|
AD11853 | 3.34 | 621.83 | C34H51O4N7 | CCn1c2ccccc2c2cc(NC(=O)C(CCCCN)NC(=O)CN(C)C(=O)C(CC(C)C)NC(=O)C(N)C(C)C)ccc21 |
|
AD11854 | 1.16 | 534.36 | C6H18O12P4S4 | COP(O)(=S)OCC(OP(O)(=S)OC)(OP(O)(=S)OC)OP(O)(=S)OC |
|
AD11855 | 1.37 | 692.29 | C19H24O18N2P4 | COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)C2OC(C=Cc3ccccc3)OC12 |
|
AD11856 | 0.97 | 137.14 | C7H7O2N | Nc1ccccc1C(=O)O |
|
AD11857 | 1.93 | 280.31 | C15H14ON5 | CC(=O)N(Cc1ccccc1)Cc1ncnc2c1N=C[N]2 |
|
AD11858 | -0.31 | 135.13 | C6H5ON3 | O=C1N=CN=C2NC=CC12 |
|
AD11859 | 1.2 | 174.15 | C6H4N7 | [N-]=[N+]=NCc1ncnc2c1N=C[N]2 |
|
AD11860 | 2.19 | 266.28 | C14H12ON5 | Oc1ccc2c(c1)CCC2Nc1ncnc2c1N=C[N]2 |