aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD02821 | -0.17 | 170.06 | C3H7O6P | COP(=O)(O)OCC(=O)O |
|
AD02822 | 3.96 | 538.46 | C30H18O10 | O=C(O)c1cc(O)c2c(c1)C(C1c3cccc(O)c3C(=O)c3c(O)cc(C(=O)O)cc31)c1cccc(O)c1C2=O |
|
AD02823 | -0.46 | 225.14 | C6H12O6NP | CP(=O)(O)OC(=O)C(N)CCC(=O)O |
|
AD02824 | 5.06 | 1311.11 | C66H57O18N9Cl2 | NC(=O)CCCCCNC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21 |
|
AD02825 | 2.39 | 308.15 | C14H9N6Cl2 | Nc1ncnc2c1N=C(NCc1ccc(Cl)c(Cl)c1)[N]2 |
|
AD02826 | 9.2 | 547.93 | C34H61O2NS | CC(C)CCCC(C)C1CCC2C3CC=C4CC(OCCCCN(O)CCCS)CCC4(C)C3CCC12C |
|
AD02827 | 1.77 | 233.22 | C12H11O4N | CC(=O)Nc1coc2c(C)c(O)ccc2c1=O |
|
AD02828 | 3.09 | 202.26 | C16H10 | C(C#Cc1ccccc1)#Cc1ccccc1 |
|
AD02829 | 5.08 | 474.73 | C30H50O4 | CC1(C)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1 |
|
AD02830 | 2.11 | 307.3 | C14H11O6S | O=S(=O)([O-])Oc1cc(O)cc(C=Cc2ccc(O)cc2)c1 |