aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD11451 | -1.96 | 474.5 | C20H28O5N9 | CC(O)C(=O)N1CCCC1C(=O)NC(CCC(=O)NCCNc1ncnc2c1N=C[N]2)C(N)=O |
|
AD11452 | -2.5 | 339.37 | C12H21O8NS | CSC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1 |
|
AD11453 | 7.73 | 571.93 | C34H69O5N | CCCCCCCCCCCCCCC(O)C(O)C(CO)NC(=O)CCCCCCCCCCCCCCCO |
|
AD11454 | 0.19 | 405.4 | C20H23O8N | COC(C(=O)NCCCO)C1Cc2cc3cc(O)cc(O)c3c(O)c2C(=O)C1O |
|
AD11455 | 3.73 | 310.34 | C19H12N5 | N#Cc1ccc(Nc2ncnc3c2C(c2ccccc2)=C[N]3)cc1 |
|
AD11456 | 0.67 | 220.19 | C9H8O3N4 | O=[N+]([O-])c1ccc(-n2cc(CO)nn2)cc1 |
|
AD11457 | 4.01 | 423.5 | C24H23N8 | C1=Nc2c(nc(NCCc3c[nH]cn3)nc2NCC(c2ccccc2)c2ccccc2)[N]1 |
|
AD11458 | 2.03 | 167.26 | C9H17N3 | CCCCCn1cc(CC)nn1 |
|
AD11459 | 1.19 | 313.34 | C15H17O2N6 | COC(=O)N1CCC(CC#Cc2nc(N)c3c(n2)[N]C=N3)CC1 |
|
AD11460 | 1.09 | 462.49 | C22H24O3N9 | Nc1nc(NCCc2ccc(CCC(=O)NC(Cc3c[nH]cn3)C(=O)O)cc2)nc2c1N=C[N]2 |