aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD17831 | 0.91 | 286.37 | C12H14O4S2 | C=C(CO)[S+]([O-])c1cccc([S+]([O-])C(=C)CO)c1 |
|
AD17832 | 4.32 | 904.16 | C47H77O12N5 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)Cc3ccc(-c4cn(CCCCCCCCCC(=O)NO)nn4)cc3)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O |
|
AD17833 | 2.47 | 1057.21 | C46H68O18N6S2 | CCCCCCCCCCCCCCCC(=O)N(C)C(CO)C(=O)NC(C)C(=O)NCC(=O)N(C)C1C(=O)NC(C)C(=O)NC(C(=O)O)Cc2ccc(OS(=O)(=O)O)c(c2)-c2cc1cc(OS(=O)(=O)O)c2O |
|
AD17834 | 3.1 | 310.41 | C16H16N5S | c1ccc(CSc2ncnc3c2N=C(N2CCCC2)[N]3)cc1 |
|
AD17835 | 3.88 | 381.45 | C21H19O4NS | CN1CC=C(c2c(O)cc(O)c3c(=O)cc(-c4ccc(S)cc4)oc23)CC1 |
|
AD17836 | -7.54 | 607.62 | C22H41O11N9 | CC(NC(=O)C(N)CO)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)O)C(C)O |
|
AD17837 | 3.08 | 244.29 | C15H16O3 | Cc1c(O)ccc2c3c(c(=O)oc12)CCCCC3 |
|
AD17838 | 1.99 | 319.38 | C16H17O4NS | COC(=O)c1ccc(S(=O)(=O)NCCc2ccccc2)cc1 |
|
AD17839 | 5.1 | 486.69 | C30H46O5 | CC1=C2C3=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C(=O)O)CCC1C |
|
AD17840 | 2.13 | 156.22 | C9H16O2 | COC(=O)CC1CCCCC1 |