aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD06971 | 3.02 | 227.26 | C14H13O2N | CC(=O)Nc1cccc(-c2ccc(O)cc2)c1 |
|
AD06972 | 2.76 | 186.21 | C12H10O2 | Oc1ccc(-c2cccc(O)c2)cc1 |
|
AD06973 | 4.61 | 272.77 | C18H17OCl | Clc1ccccc1Cc1ccc(COC2CC2)cc1 |
|
AD06974 | 0.55 | 352.37 | C14H16N12 | Nc1nc2c(c(NCCCCNc3nc(N)nc4c3N=C[N]4)n1)N=C[N]2 |
|
AD06975 | -2.07 | 434.49 | C19H34O9N2 | COC1(C(=O)O)CC(O)C(NC(=O)CO)C(C(O)C(O)CNCC2CCCCC2)O1 |
|
AD06976 | -4.28 | 338.31 | C12H22O9N2 | COC1(C(=O)O)CC(O)C(NC(=O)CO)C(C(O)C(O)CN)O1 |
|
AD06977 | -3.31 | 588.66 | C24H44O9N8 | CC(C)C(NC(=O)NC(C(=O)NC(C(=O)NCCCNC(CO)C(=O)O)C(O)C(C)C)C1CCNC(=N)N1)C(=O)O |
|
AD06978 | 2.55 | 142.2 | C7H7FS | CSc1cccc(F)c1 |
|
AD06979 | -0.51 | 267.28 | C12H17O4N3 | CC(Cc1ccc(O)cn1)C(N)C(=O)NCC(=O)O |
|
AD06980 | 3.16 | 541.73 | C28H45O8S | CC(C)C(C)C1OC1C(C)(O)C1C(O)CC2C3CC(O)C4CC(OS(=O)(=O)[O-])CCC4(C)C3=CCC21C |