aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD10341 | 1.41 | 149.15 | C8H7O2N | N=Cc1ccc2c(c1)OCO2 |
|
AD10342 | 3.88 | 614.78 | C34H50O8N2 | CCC(=O)OC1CC(=O)OC(CCCc2ccnc3ccccc23)CCCN(C)CC(O)C(C)CC(CC=O)C(O)C1OC |
|
AD10343 | -2.78 | 486.47 | C21H30O11N2 | COC1(C(=O)O)CC(O)C(NC(=O)CO)C(C(O)C(O)CNC(=O)CCc2ccc(O)cc2)O1 |
|
AD10344 | -0.12 | 215.24 | C10H11N6 | CN(C)CC#Cc1nc(N)c2c(n1)[N]C=N2 |
|
AD10345 | -8.33 | 708.73 | C28H44O10N12 | NCCN(CC(=O)NCCN(CC(=O)NCCNC1C(O)C(N)CC(N)C1O)C(=O)Cn1ccc(=O)[nH]c1=O)C(=O)Cn1ccc(=O)[nH]c1=O |
|
AD10346 | 1.66 | 372.37 | C20H20O7 | CC12CC(c3ccoc3)OC(=O)C1=CCC1(C)C2C2OC(=O)C1(O)C1OC21 |
|
AD10347 | 2.98 | 682.91 | C30H38O8N2S4 | CSCCOCCSCC(O)CN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(CC(O)CSCCOCCSC)C3=O |
|
AD10348 | 0.57 | 157.19 | C6H7O2NS | OCc1ccc(O)c(S)n1 |
|
AD10349 | 2.9 | 285.31 | C13H9O2N4S | O=[N+]([O-])c1cccc(CSc2ncnc3c2C=C[N]3)c1 |
|
AD10350 | -4.89 | 1066.24 | C41H61O12N16S3 | Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)CC(=O)NC(C(=O)NC(O)C(O)c1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(O)c1c[nH]cn1 |