aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD18431 | 3.12 | 262.38 | C14H18ON2S | Nc1ncc(C(=O)C23CC4CC(CC(C4)C2)C3)s1 |
|
AD18432 | 0.63 | 761.94 | C37H55O10N5S | CC12C(O)CC3C(CCC4(O)CC(O)CCC34C=NNC(=O)COCCNC(=O)CCCCC3SCC4NC(=O)NC43)C1(O)CCC2C1=CC(=O)OC1 |
|
AD18433 | 5.45 | 316.53 | C19H40O3 | CCCCCCCCCCCCCCCCOC(CO)OC |
|
AD18434 | 2.78 | 303.23 | C16H20ON2Cl2 | NC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 |
|
AD18435 | -7.1 | 899.07 | C36H70O9N18 | CN(CCCNCC(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(N)=O)CCC(N)C(=O)O |
|
AD18436 | 1.37 | 240.27 | C13H12ON4 | OCc1cn(Cc2ccc3ccccc3n2)nn1 |
|
AD18437 | 1.64 | 239.08 | C8H7N4Br | Cn1cc(-c2cccc(Br)n2)nn1 |
|
AD18438 | 1.88 | 280.3 | C13H12O5S | COC1=C(S)C(=O)c2c(O)c(C)c(C)c(O)c2C1=O |
|
AD18439 | 0.75 | 260.01 | C6H3ON3I | O=c1[nH]cnc2c1C(I)=C[N]2 |
|
AD18440 | 2.78 | 258.69 | C14H9ON3Cl | COc1ncnc2c1C(c1ccc(Cl)cc1)=C[N]2 |