aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD18491 | 7.23 | 484.72 | C31H48O4 | CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC6OCOCC6(C)C5CCC43C)C2C1 |
|
AD18492 | 1.18 | 150.14 | C7H5N3F | Nc1ccnc2c1C(F)=C[N]2 |
|
AD18493 | 7.61 | 498.75 | C32H50O4 | CC1OCC2(C)C(CCC3(C)C2CCC2(C)C3CC=C3C4CC(C)(C)CCC4(C(=O)O)CCC32C)O1 |
|
AD18494 | 4.52 | 419.53 | C22H23ON6S | O=C(NCCCCCCNc1ncnc2c1N=C[N]2)c1cccc(-c2cccs2)c1 |
|
AD18495 | 5.32 | 686.93 | C40H62O9 | CC=C(C)C(=O)OC1C(OC(=O)C(C)CC)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C=O)C4CCC3(C)C1(C)C(O)C2O |
|
AD18496 | 1.37 | 351.42 | C17H15ON6S | C#Cc1cccc(CCNC(=O)CSC2=Nc3c(N)ncnc3[N]2)c1 |
|
AD18497 | 1.37 | 309.31 | C14H13ON8 | CC(=O)Nc1ccc(C=NNc2nc(N)c3c(n2)[N]C=N3)cc1 |
|
AD18498 | 5.11 | 1307.12 | C67H57O17N9Cl2 | NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)NC1CN2CCC1CC2)NC3=O |
|
AD18499 | 5.47 | 708.85 | C37H40O10S2 | O=C(O)Cc1cccc(-c2cc(CCCS(=O)(=O)CCCS(=O)(=O)CCCc3ccc(O)c(-c4cccc(CC(=O)O)c4)c3)ccc2O)c1 |
|
AD18500 | 2.55 | 266.31 | C13H8N5S | N#Cc1ccc(CSc2ncnc3c2N=C[N]3)cc1 |