aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD18361 | -1.41 | 209.21 | C6H5ON6S | NC(=S)C1=N[N]c2nc(N)[nH]c(=O)c21 |
|
AD18362 | -0.12 | 209.23 | C7H7ON5S | NC(=S)c1cn(O)c2ncnc(N)c12 |
|
AD18363 | 4.76 | 588.78 | C34H52O8 | CC(=O)OC1C2C(C)(CCC(=O)C(C)(C)O)OCC23CCC24CC25CCC(O)C(C)(C)C5CCC4C3(C)C1OC(C)=O |
|
AD18364 | 11.2 | 1555.53 | C79H77O20N7Cl2S2 | CCCCCCCCCCCCSC1=C(SCCC)C(=O)N(C2C(=O)NC3Cc4ccc(c(Cl)c4)Oc4cc5cc(c4O)Oc4ccc(cc4Cl)C(O)C4NC(=O)C(NC(O)C5NC(=O)C(NC3=O)c3cc(O)cc(c3)Oc3cc2ccc3O)c2ccc(O)c(c2)-c2c(O)cc(O)cc2C(C(=O)O)NC4=O)C1=O |
|
AD18365 | 5.87 | 1525.28 | C75H67O24N9Cl2 | CC1(C)OC2OC(COCc3cn(C4C(=O)NC5Cc6ccc(c(Cl)c6)Oc6cc7cc(c6O)Oc6ccc(cc6Cl)C(O)C6NC(=O)C(NC(O)C7NC(=O)C(NC5=O)c5cc(O)cc(c5)Oc5cc4ccc5O)c4ccc(O)c(c4)-c4c(O)cc(O)cc4C(C(=O)O)NC6=O)nn3)C3OC(C)(C)OC3C2O1 |
|
AD18366 | 3.74 | 279.38 | C19H21ON | CCc1ccc(C2c3ccccc3CCN2C(C)=O)cc1 |
|
AD18367 | -0.88 | 218.19 | C10H8O3N3 | O=C([O-])c1ccc(-n2cc(CO)nn2)cc1 |
|
AD18368 | 4.06 | 350.45 | C20H24ON5 | CC(C)c1ccc(COC2CCCC2Nc2ncnc3c2N=C[N]3)cc1 |
|
AD18369 | 3.7 | 273.14 | C12H6ON2Cl2S | O=C(Nc1cccc(Cl)c1Cl)c1cscn1 |
|
AD18370 | 2.83 | 392.49 | C22H32O6 | CC12CCC3C(CCC4CC(O)CCC43OO)C1(O)CCC2C1=CC(=O)OC1 |