aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD08681 | 1.05 | 151.17 | C5H3N4S | S=c1nc[nH]c2c1N=C[N]2 |
|
AD08682 | 4.64 | 476.56 | C23H18O3N5S2 | COc1ccc2oc(=O)c(CSc3nc(N)nc4c3N=C(SCc3ccccc3)[N]4)cc2c1 |
|
AD08683 | 2.65 | 451.42 | C21H19O6N6 | CCOC(=O)C1=C(C)Oc2nc(C)n(CC3=C[N]N=N3)c(=O)c2C1c1ccccc1[N+](=O)[O-] |
|
AD08684 | 2.94 | 412.35 | C21H16O9 | CC(=O)Oc1ccc(-c2oc3cc(OC(C)=O)cc(OC(C)=O)c3c(=O)c2O)cc1 |
|
AD08685 | 4.55 | 630.82 | C36H54O9 | CCC(C)C1OC2(CCC1C)CC1CC(CC=C(C)C(OCCO)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2 |
|
AD08686 | 1.75 | 201.23 | C11H11ON3 | Cc1nccn1-c1ccc(NC=O)cc1 |
|
AD08687 | 2.28 | 264.11 | C10H5O2N2Cl2S | CS(=O)(=O)C1=Nc2cc(Cl)c(Cl)cc2[N]1 |
|
AD08688 | 4.48 | 284.79 | C18H17N2Cl | CN(C)c1ccc(Cc2c[nH]c3cccc(Cl)c23)cc1 |
|
AD08689 | 3.3 | 293.14 | C14H8N5Cl2 | Clc1cccc(CNc2nc(Cl)nc3c2N=C[N]3)c1 |
|
AD08690 | -1.41 | 376.32 | C14H20O10N2 | CC(C(=O)NCC(=O)O)N(C(=O)CCC(=O)O)C(CCC(=O)O)C(=O)O |