aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD14391 | -2.34 | 291.3 | C12H21O7N | CC(=O)NC1CCC(O)(C(C)=O)OC1C(O)C(O)CO |
|
AD14392 | 3.52 | 322.39 | C18H20ON5 | CC(C)COc1ccc2c(c1)CCC2Nc1ncnc2c1N=C[N]2 |
|
AD14393 | 4.58 | 478.55 | C27H30O6N2 | CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O)c(C)c3oc2=O)cc(CN2CCCC2)c1O |
|
AD14394 | -2.47 | 713.58 | C22H29O14N5P2S2 | Cc1cn(C2OC3(COP(O)(O)=S)COC2C3OP(O)(=S)OCC23COC(C(n4cc(C)c(=O)[nH]c4=O)O2)C3O)c(=O)nc1N |
|
AD14395 | 5.4 | 485.61 | C28H33O2N6 | CC(C)(C)c1cc(C(=O)NCCc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc(C(C)(C)C)c1O |
|
AD14396 | 10.29 | 1464.3 | C75H52O18N8Cl2S2 | O=C1NC2C(=O)NC3C(=O)NC4C(=O)NC(C(=O)NC(C(=O)O)c5cc(O)cc(O)c5-c5cc4ccc5O)C(O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O)Oc3ccc(cc3Cl)CC1NC(=O)C(n1cc3ccccc3c1Sc1nc3ccccc3s1)c1ccc(O)c(c1)Oc1cc(O)cc2c1 |
|
AD14397 | 5.56 | 1534.32 | C76H62O23N8Cl2S | CC(=O)NC1C(Sc2c3ccccc3cn2C2C(=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)OC(CO)C(O)C1O |
|
AD14398 | 1.72 | 374.53 | C16H26O4N2S2 | Cc1cn(C2CC(O)C(CSCCCCCCS)O2)c(=O)[nH]c1=O |
|
AD14399 | 0.76 | 228.24 | C10H10N7 | C1=Nc2c(ncnc2NCCc2c[nH]cn2)[N]1 |
|
AD14400 | 2.56 | 234.34 | C15H22O2 | CC1=CC(=O)C2C3C(C(C)(C)O)CCC2(C)C13 |