aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12171 | 0.43 | 113.11 | CH5O4S | COS([O-])(O)O |
|
AD12172 | 0.52 | 206.18 | C8H8O2N5 | CCC(=O)N(O)c1ncnc2c1N=C[N]2 |
|
AD12173 | 1.83 | 172.57 | C7H5O2N2Cl | Nc1ccc(Cl)c([N+](=O)[O-])c1 |
|
AD12174 | 1.75 | 358.44 | C19H26O3N4 | CC(C)c1[nH]nc(O)c1Cc1ccc(CCCC(=O)NCC(N)=O)cc1 |
|
AD12175 | 0.53 | 257.05 | C7H5O2N4Br | NC(=O)c1c(Br)n(O)c2ncncc12 |
|
AD12176 | 4.12 | 254.91 | C11HN2Cl4 | ClC1=Nc2c(cc(Cl)c(Cl)c2Cl)[N]1 |
|
AD12177 | 7.91 | 1457.34 | C77H71O18N9Cl2 | CCCCc1ccc(CN2CCN(Cc3c(O)cc4c(c3O)-c3cc(ccc3O)C3NC(=O)C5NC(=O)C6NC(=O)C(Cc7ccc(cc7)Oc7cc5cc(c7O)Oc5ccc(cc5Cl)C(O)C(NC3=O)C(=O)NC4C(=O)O)NC(=O)C(NC)c3ccc(O)c(c3)Oc3cc(O)c(Cl)c6c3)CC2)cc1 |
|
AD12178 | 2.66 | 326.4 | C18H22O2N4 | COc1ccnc(CNc2ccc3c(c2)nc(C)n3CCO)c1C |
|
AD12179 | 2.13 | 422.47 | C22H30O8 | COc1cc(CC(CO)C(CO)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O |
|
AD12180 | 5.64 | 426.69 | C25H50O3N2 | CCCCCCCCCCCCCCNC(=O)C(CO)NC(=O)CCCCCCC |