aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD03331 | 3.7 | 220.36 | C12H12S2 | SCc1ccc(CS)c2ccccc12 |
|
AD03332 | 5.0 | 284.5 | C12H12S4 | SSCc1ccc(CSS)c2ccccc12 |
|
AD03333 | 2.95 | 708.89 | C37H60O11N2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OCC=NOc2ccccc2)CC(C)C(=O)C(C)C(O)C1(C)O |
|
AD03334 | 3.28 | 430.59 | C4H11O10P4ClS2 | COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OC |
|
AD03335 | 2.01 | 262.24 | C8H7N5F3S | Nc1nc(SCCC(F)(F)F)nc2c1N=C[N]2 |
|
AD03336 | -2.36 | 1105.95 | C35H50O20N9P3S3 | COP(O)(=S)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(O)(=S)OC1C2C(n3cc(C)c(=O)[nH]c3=O)OC1(COP(O)(=S)OC1C3C(n4cc(C)c(N)nc4=O)OC1(CO)CON3C)CON2C |
|
AD03337 | -2.78 | 771.66 | C24H35O14N7P2S2 | Cc1cn(C2OC3(COP(O)(O)=S)CON(C)C2C3OP(O)(=S)OCC23CON(C)C(C(n4cc(C)c(=O)[nH]c4=O)O2)C3O)c(=O)nc1N |
|
AD03338 | 4.5 | 378.13 | C9H7OF13 | OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
|
AD03339 | 2.83 | 296.32 | C18H16O4 | O=C(OCCCCO)c1cccc2c1-c1ccccc1C2=O |
|
AD03340 | 1.99 | 326.3 | C13H12O2N9 | COc1ccc(NC(=O)N=NNc2nc(N)c3c(n2)[N]C=N3)cc1 |