aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD13801 | -0.34 | 327.32 | C12H13O6N3S | O=CNCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 |
|
AD13802 | 4.18 | 346.51 | C22H34O3 | CC1C(=O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C21 |
|
AD13803 | 2.24 | 286.34 | C13H12ON5S | COc1ccc(CSC2=Nc3c(N)ncnc3[N]2)cc1 |
|
AD13804 | 3.17 | 1165.2 | C57H66O10N10F6 | CC(C)CC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 |
|
AD13805 | 1.33 | 331.36 | C14H13O3N5S | O=S(=O)([O-])c1ccc(CCCNc2ncnc3c2N=C[N]3)cc1 |
|
AD13806 | 2.69 | 482.57 | C25H38O9 | CCC(=O)OC1CC(=O)OC(C)CC=CC=CC(OC(C)=O)C(C)CC(CC=O)C(O)C1OC |
|
AD13807 | 5.82 | 516.76 | C32H52O5 | C=C(C)C(O)C(O)CC(C)C1CCC2(C)C1=CCC1C3(C)CCC(OC(C)=O)C(C)(C)C3CC(O)C12C |
|
AD13808 | 0.01 | 219.26 | C8H13O4NS | CCOC(=O)C(C(=O)OCC)C(N)=S |
|
AD13809 | 10.54 | 661.92 | C36H70O8P | CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OC)OC(=O)CCCCCCCCCCCCCCC |
|
AD13810 | 2.97 | 520.71 | C30H48O7 | CC1(C)CC(C(=O)O)C2C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1 |