aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD03171 | 1.93 | 172.17 | C9H6ON3 | Cc1ncnc2c1-c1occc1[N]2 |
|
AD03172 | 0.48 | 80.09 | C4H4N2 | c1cnccn1 |
|
AD03173 | 2.29 | 316.27 | C16H12O7 | COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1O |
|
AD03174 | 2.39 | 226.22 | C12H8O2N3 | Cc1cc(=O)oc2cc(C3=C[N]N=N3)ccc12 |
|
AD03175 | 0.76 | 175.19 | C9H9ON3 | OCc1cn(-c2ccccc2)nn1 |
|
AD03176 | 4.73 | 1219.7 | C62H67O17N8Cl | CCCCCCC=Cc1cc2ccc1Oc1cc3cc(c1O)Oc1ccc(cc1Cl)C(O)C(NC(=O)C(CC(C)C)NC)C(=O)NC(CC(N)=O)C(=O)NC3C(=O)NC1C(=O)NC(C(=O)NC(C(=O)O)c3cc(O)cc(O)c3-c3cc1ccc3O)C2O |
|
AD03177 | 4.27 | 937.99 | C51H55O16N | CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(OC(=O)CCC=O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C |
|
AD03178 | -0.21 | 313.45 | C14H31ON7 | N=C(N)NCCCN(CCCCCC=O)CCCNC(=N)N |
|
AD03179 | 1.25 | 642.89 | C35H58O5N6 | NCC1OC(OC2C(N)CC(N)C(O)C2OCCCCCCCCN2CCN(Cc3cccc4ccccc34)CC2)C(N)CC1O |
|
AD03180 | -0.45 | 192.08 | CH5O7PS | COP(=O)(O)OS(=O)(=O)O |