aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD18461 | 1.5 | 222.3 | C9H12N5S | CC(C)(C)SC1=N[N]c2ncnc(N)c21 |
|
AD18462 | 4.83 | 685.82 | C35H44O8N3FS | CCC1OC(=O)C(C)C(=O)C(C)C(O)C(C)(OC(=O)NCC(F)=Cc2cnc3ccccc3c2)CC(C)C(=O)C(C)C2NC(=S)OC12C |
|
AD18463 | -2.64 | 799.97 | C36H65O11N9 | CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(NC(=O)C(N)C(C)O)C(C)C)C(C)C)C(C)C)C(C)C)C(=O)O |
|
AD18464 | 3.8 | 250.4 | C12H26O3S | CCCCCCCCCCCCS(=O)(=O)O |
|
AD18465 | 2.46 | 349.38 | C17H17ON8 | CCCOc1ccc(-c2cn(-c3nc4c(c(NC)n3)N=C[N]4)nn2)cc1 |
|
AD18466 | 0.38 | 2323.98 | C115H144O30N21Cl | CCCCCCCOc1ccc(C(=O)NC(CC(N)=O)C(=O)NCC2C(=O)NC(c3ccc(O)cc3)C(=O)NC(CCCN)C(=O)NC(C(C)C)C(=O)NC(c3ccc(O)cc3)C(=O)NC(c3ccc(O)cc3)C(=O)NC(C(C)O)C(=O)NC(Cc3ccccc3)C(=O)NC(CCCN)C(=O)NC(c3ccc(O)cc3)C(=O)NC(C(C)O)C(=O)NC(c3ccc(O)cc3)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(c3ccc(O)c(Cl)c3)C(=O)OC2C(N)=O)cc1 |
|
AD18467 | 5.82 | 361.92 | C19H16ONClS2 | C=CCOCc1ccc(Cc2ncc(-c3cccs3)s2)c(Cl)c1 |
|
AD18468 | 5.08 | 474.73 | C30H50O4 | CC1(CO)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
AD18469 | -1.58 | 222.19 | C8H14O7 | COC(=O)C(C)OC(O)C(O)C(=O)OC |
|
AD18470 | 4.82 | 382.46 | C23H26O5 | CC(=O)OC(CCCC=CC=CC=CC=CC=Cc1ccc(O)cc1)C(=O)O |