aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD01501 | -0.91 | 142.05 | C2H7O5P | O=P(O)(O)OCCO |
|
AD01502 | 0.43 | 194.22 | C7H6ON4S | CSc1nc2nccnc2c(=O)[nH]1 |
|
AD01503 | -0.1 | 182.23 | C8H14ON4 | CN(C)c1cn[nH]c(=O)c1N(C)C |
|
AD01504 | 1.45 | 121.18 | C8H11N | Cc1ccc(CN)cc1 |
|
AD01505 | 2.69 | 361.18 | C14H11O2N5Br | CC(=O)Nc1nc2c(c(OCc3ccc(Br)cc3)n1)N=C[N]2 |
|
AD01506 | 1.92 | 284.25 | C13H10O3N5 | O=C(OCc1ccccc1)N(O)c1ncnc2c1N=C[N]2 |
|
AD01507 | 2.25 | 287.36 | C16H21O2N3 | CC(C)c1[nH]nc(O)c1Cc1ccc(CCC(N)=O)cc1 |
|
AD01508 | 11.06 | 616.97 | C39H68O5 | CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCCCCCCCC |
|
AD01509 | 1.84 | 189.24 | C10H13N4 | CCCCC1=C[N]c2ncnc(N)c21 |
|
AD01510 | 2.31 | 373.41 | C19H23O5N3 | COCc1cn(CC(C)=CCc2c(O)c3c(c(C)c2OC)COC3=O)nn1 |