aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12231 | -2.44 | 1197.42 | C50H70O12N17S3 | COc1ccc(NC(=O)C[S+](C)CCCNC(=O)c2csc(-c3csc(CCNC(=O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c4nc(C(CC(N)=O)NCC(N)C(N)=O)nc(N)c4C)C(O)c4c[nH]cn4)C(C)O)n3)n2)cc1 |
|
AD12232 | 6.99 | 570.86 | C36H58O5 | CCCC=CC(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C12CO |
|
AD12233 | -1.61 | 105.09 | C3H7O3N | NC(CO)C(=O)O |
|
AD12234 | 0.2 | 180.16 | C8H8O3N2 | NC(=O)NC(=O)c1ccc(O)cc1 |
|
AD12235 | 2.75 | 238.27 | C13H12N5 | Cc1ccc(Nc2ncnc3c2N=C[N]3)cc1C |
|
AD12236 | 0.6 | 134.27 | C6H16NS | CC(N)CC[S+](C)C |
|
AD12237 | 1.8 | 174.2 | C10H10ON2 | NCc1ccc(-c2ccon2)cc1 |
|
AD12238 | 2.86 | 209.34 | C10H11NS2 | NCc1ccc(Cc2ccsc2)s1 |
|
AD12239 | -0.62 | 281.31 | C13H19O4N3 | NC1CC(N)C(O)C(OC(=O)Nc2ccccc2)C1O |
|
AD12240 | 1.41 | 154.16 | C8H10O3 | COc1ccc(O)cc1OC |