aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD21001 | 4.23 | 386.44 | C22H20O2N5 | CC(C)c1ccc(C2C(C#N)=C(N)Oc3cc(OCC4=C[N]N=N4)ccc32)cc1 |
|
AD21002 | 3.42 | 358.38 | C20H16O2N5 | Cc1ccc(C2C(C#N)=C(N)Oc3cc(OCC4=C[N]N=N4)ccc32)cc1 |
|
AD21003 | 2.57 | 783.02 | C40H70O11N4 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=O)Nc2ccc(OC)cc2)C(C)C(O)C1(C)O |
|
AD21004 | 4.3 | 309.2 | C15H8N3Cl2S | Clc1ccc(CSc2ncnc3c2C=C[N]3)c(Cl)c1 |
|
AD21005 | -0.63 | 140.14 | C6H8O2N2 | CNc1c(NC)c(=O)c1=O |
|
AD21006 | 0.42 | 186.21 | C9H14O4 | COC(=O)CC1(O)CCC(=O)CC1 |
|
AD21007 | 1.87 | 276.24 | C14H12O6 | O=C(OCc1ccccc1O)c1c(O)ccc(O)c1O |
|
AD21008 | 1.53 | 274.21 | C11H15O6P | COC(=O)C(Cc1ccccc1)OP(=O)(O)OC |
|
AD21009 | 0.43 | 148.15 | C6H6N5 | CNc1ncc2c(n1)[N]C=N2 |
|
AD21010 | 3.94 | 369.43 | C17H17O2N6S | O=[N+]([O-])c1ccc(CSc2nc(NC3CCCC3)nc3c2N=C[N]3)cc1 |