aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD10031 | -0.92 | 102.14 | C4H10ON2 | CNC(=O)CCN |
|
AD10032 | -0.35 | 230.25 | C8H10O4N2S | NC(C(=O)NCC(=O)O)c1csc(O)c1 |
|
AD10033 | 2.83 | 176.24 | C10H8OS | Oc1ccc(S)c2ccccc12 |
|
AD10034 | 5.53 | 578.75 | C35H46O7 | CCC1OC(=O)CC(O)C(C)C(O)C(CCOc2ccc(-c3ccccc3)cc2)CC(C)C(=O)C=CC(C)=CC1CO |
|
AD10035 | 0.34 | 200.22 | C7H8O3N2S | O=C(O)CCSc1cc[nH]c(=O)n1 |
|
AD10036 | 3.58 | 302.45 | C17H34O4 | CCCCCCCCCCCCCC(=O)OCC(O)CO |
|
AD10037 | 2.97 | 395.4 | C19H17N8F2 | FC(F)n1cc(-c2ccc(N3CCN(c4ncnc5c4N=C[N]5)CC3)cc2)cn1 |
|
AD10038 | 5.24 | 449.6 | C27H35O3N3 | O=C(c1ccccc1)c1ccc(OCCCCCCCCCCn2cc(CCO)nn2)cc1 |
|
AD10039 | 2.13 | 651.94 | C33H65O4N9 | CCCCCCCCCCCCCCCC(NC(=O)C(N)CCCNC(=N)N)C(=O)NCC1CC2C(CON2CCCN)C(=O)N1 |
|
AD10040 | 5.4 | 479.75 | C28H53O3N3 | CCCCCCCCCCCCCCCCCCCNC(=O)C1=CCN(C)C(CO)C(=O)N1C |