aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00201 | 3.6 | 329.73 | C14H10ON8Cl | COc1ccc(Cl)c(CNc2nc(N=[N+]=[N-])nc3c2N=C[N]3)c1 |
|
AD00202 | 7.11 | 651.9 | C40H53O3N5 | C=C1CC2=C3N=C(C=c4[nH]c(c(C(C)OCCCCCC)c4C)=CC4=NC(Cc5[nH]c2c1c5C)C(CC)=C4C)C(C)C3CCC(=O)NO |
|
AD00203 | 1.99 | 302.24 | C15H10O7 | O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)c(O)c(O)c12 |
|
AD00204 | 1.69 | 318.24 | C15H10O8 | O=c1c(O)c(-c2ccc(O)cc2)oc2c(O)c(O)c(O)c(O)c12 |
|
AD00205 | -0.29 | 259.36 | C9H13O2N3S2 | NC(=S)NCCc1ccc(S(N)(=O)=O)cc1 |
|
AD00206 | -0.16 | 128.09 | CH5O3PS | COP(O)(O)=S |
|
AD00207 | -0.74 | 150.12 | C5H4ON5 | Nc1nc2c(c(=O)[nH]1)N=C[N]2 |
|
AD00208 | -1.2 | 284.19 | C3H10O7P2S2 | OC(COP(O)(O)=S)COP(O)(O)=S |
|
AD00209 | -0.99 | 116.12 | C4H8O2N2 | O=C1NCCC(O)N1 |
|
AD00210 | 2.22 | 152.58 | C8H5N2Cl | Clc1ccc2[nH]cnc2c1 |