aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD08831 | 2.9 | 355.42 | C18H17O3N3S | COc1ccc(Cc2n[nH]c(=S)n(-c3ccc(OC)cc3)c2=O)cc1 |
|
AD08832 | 1.1 | 168.15 | C8H8O4 | COc1cc(C(=O)O)ccc1O |
|
AD08833 | -1.76 | 182.14 | C6H6O3N4 | Cn1c(=O)[nH]c2c(=O)[nH]c(=O)[nH]c21 |
|
AD08834 | -0.74 | 147.13 | C5H9O4N | NC(CCC(=O)O)C(=O)O |
|
AD08835 | -0.75 | 160.12 | C6H2ON5 | N#CC1=N[N]c2nc[nH]c(=O)c21 |
|
AD08836 | -0.14 | 2259.93 | C111H144O29N21Cl | CCCCCCCCCC(=O)NC(CC(N)=O)C(=O)NCC1C(=O)NC(c2ccc(O)cc2)C(=O)NC(CCCN)C(=O)NC(C(C)C)C(=O)NC(c2ccc(O)cc2)C(=O)NC(c2ccc(O)cc2)C(=O)NC(C(C)O)C(=O)NC(Cc2ccccc2)C(=O)NC(CCCN)C(=O)NC(c2ccc(O)cc2)C(=O)NC(C(C)O)C(=O)NC(c2ccc(O)cc2)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(c2ccc(O)c(Cl)c2)C(=O)OC1C(N)=O |
|
AD08837 | 6.31 | 380.47 | C24H16ON2S | CC(=O)c1c(-c2ccccc2)[nH]c(=S)c(C#N)c1-c1cccc2ccccc12 |
|
AD08838 | 3.14 | 230.31 | C14H18ON2 | Cc1ccccc1Cc1c(O)n[nH]c1C(C)C |
|
AD08839 | 1.09 | 591.78 | C30H57O10N | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(NC(C)C)C2O)C(C)(O)CC(C)C(O)C(C)C(O)C1(C)O |
|
AD08840 | 2.11 | 343.34 | C18H17O6N | O=C(O)CCC(NC(=O)c1cccc(-c2ccccc2O)c1)C(=O)O |