aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD01341 | 4.75 | 331.33 | C19H13O3N3 | O=[N+]([O-])c1ccc2c(Nc3ccc(O)cc3)c3ccccc3nc2c1 |
|
AD01342 | 1.91 | 269.24 | C12H9O2N6 | O=[N+]([O-])c1cccc(CNc2ncnc3c2N=C[N]3)c1 |
|
AD01343 | 4.57 | 518.72 | C29H42O6S | CCC1OC(=O)CC(O)C(C)C(O)C(CCSc2ccccc2)CC(C)C(=O)C=CC(C)=CC1CO |
|
AD01344 | 1.08 | 565.63 | C29H35O7N5 | CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)OCCCCNC(=O)c1cccc2cc3ccccc3nc12)C(N)=O |
|
AD01345 | -2.93 | 797.95 | C36H63O11N9 | CC(NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)C(C)O)C(C)C)C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)O)C(C)C)C(C)C)C(C)C |
|
AD01346 | -0.9 | 192.2 | C9H10O2N3 | CC(C)(O)C#CC1=C(C(N)=O)N=C[N]1 |
|
AD01347 | 2.72 | 200.25 | C10H6N3S | C1=Nc2c(-c3cccs3)ccnc2[N]1 |
|
AD01348 | 2.13 | 224.31 | C9H8ON2S2 | O=C(NCc1cccs1)c1cscn1 |
|
AD01349 | 1.39 | 94.11 | C6H6O | Oc1ccccc1 |
|
AD01350 | 3.2 | 478.58 | C26H38O8 | CCC1OC(O)=CC(=O)C(C)C(O)C(CC=CC(=O)OC)CC(C)C(=O)C=CC(C)=CC1CO |