aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD08381 | 0.46 | 236.26 | C10H14O2N5 | COCCOCCNc1ncnc2c1N=C[N]2 |
|
AD08382 | 1.86 | 295.28 | C14H11O2N6 | O=[N+]([O-])c1ccc2c(c1)CCN(c1ncnc3c1N=C[N]3)C2 |
|
AD08383 | -4.62 | 953.97 | C44H51O12N13 | CC(c1ccccc1)C1NC(=O)CNC(=O)C(CO)NC(=O)C(C(O)C2CN=C(N)N2)NC(=O)C(C(O)C2CN=C(N)N2)NC(=O)C(Cc2ccc3nc(-c4ccc(C(=O)O)cc4)oc3c2)NC1=O |
|
AD08384 | 2.1 | 244.3 | C11H10N5S | C1=Nc2c(ncnc2NCCc2ccsc2)[N]1 |
|
AD08385 | 4.15 | 617.74 | C36H43O8N | CC(OC(=O)c1ccccn1)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C |
|
AD08386 | 4.63 | 486.69 | C30H46O5 | CC1(CO)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C3CC2(CC1O)C(=O)O3 |
|
AD08387 | 3.27 | 303.38 | C16H17O3NS | Cc1cccc(O)c1-c1cccc(NS(=O)(=O)C2CC2)c1 |
|
AD08388 | -0.16 | 115.13 | C5H9O2N | CC(=O)CCC(N)=O |
|
AD08389 | 2.28 | 161.25 | C11H15N | CNC1CCCc2ccccc21 |
|
AD08390 | 2.99 | 256.26 | C14H12O3N2 | O=[N+]([O-])c1ccc2c(c1)CCN2c1cccc(O)c1 |