aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00951 | 4.46 | 564.66 | C30H32O7N2S | CSCCNC(=O)CCCCCNC(=O)c1ccc2c(c1)C(=O)OC21C2=C(C=C(O)CC2)Oc2cc(O)ccc21 |
|
AD00952 | 1.91 | 269.24 | C12H9O2N6 | O=[N+]([O-])c1ccc(CNc2ncnc3c2N=C[N]3)cc1 |
|
AD00953 | -0.53 | 2245.91 | C110H142O29N21Cl | CCCCCCCCC(=O)NC(CC(N)=O)C(=O)NCC1C(=O)NC(c2ccc(O)cc2)C(=O)NC(CCCN)C(=O)NC(C(C)C)C(=O)NC(c2ccc(O)cc2)C(=O)NC(c2ccc(O)cc2)C(=O)NC(C(C)O)C(=O)NC(Cc2ccccc2)C(=O)NC(CCCN)C(=O)NC(c2ccc(O)cc2)C(=O)NC(C(C)O)C(=O)NC(c2ccc(O)cc2)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(c2ccc(O)c(Cl)c2)C(=O)OC1C(N)=O |
|
AD00954 | -2.2 | 2239.81 | C109H132O30N21Cl | CC(C)CC1NC(=O)CNC(=O)C(c2ccc(O)cc2)NC(=O)C(C(C)O)NC(=O)C(c2ccc(O)cc2)NC(=O)C(CCCN)NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)O)NC(=O)C(c2ccc(O)cc2)NC(=O)C(c2ccc(O)cc2)NC(=O)C(C(C)C)NC(=O)C(CCCN)NC(=O)C(c2ccc(O)cc2)NC(=O)C(CNC(=O)C(CC(N)=O)NC(=O)COc2ccccc2)C(C(N)=O)OC(=O)C(c2ccc(O)c(Cl)c2)NC(=O)C(C)NC1=O |
|
AD00955 | -1.66 | 141.13 | C5H7O2N3 | CN1N=CC(=O)C1C(N)=O |
|
AD00956 | 0.09 | 135.11 | C5H3ON4 | Oc1ncnc2c1N=C[N]2 |
|
AD00957 | 2.14 | 301.31 | C12H9O2N6S | Nc1ncnc2c1N=C(SCc1ccc([N+](=O)[O-])cc1)[N]2 |
|
AD00958 | 4.02 | 318.37 | C18H22O5 | CCCCCCCc1cc(O)c(C)c2oc(=O)c(C(=O)O)cc12 |
|
AD00959 | 1.74 | 202.24 | C10H12N5 | C1=Nc2c(ncnc2NC2CCCC2)[N]1 |
|
AD00960 | -0.59 | 271.3 | C10H13O4N3S | NC(CSc1ccc(O)cn1)C(=O)NCC(=O)O |