aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD14881 | -0.12 | 85.11 | C4H7ON | NC(=O)C1CC1 |
|
AD14882 | 0.17 | 195.22 | C10H13O3N | O=C(COc1ccccc1)NCCO |
|
AD14883 | 3.19 | 515.59 | C29H25O6NS | O=C(OCCS(=O)(=O)c1ccccc1)N1c2ccccc2C23OC24CCCC3(CO)C#CC=CC#CC14 |
|
AD14884 | 1.35 | 273.06 | C7H6N4I | Cc1nc(N)c2c(n1)[N]C=C2I |
|
AD14885 | 0.59 | 171.18 | C9H7N4 | C#CC1=C[N]c2nc(C)nc(N)c21 |
|
AD14886 | 1.47 | 216.25 | C10H6ON3S | O=c1[nH]cnc2c1C(c1ccsc1)=C[N]2 |
|
AD14887 | 1.6 | 213.22 | C11H9ON4 | Cc1nc(N)c2c(n1)[N]C=C2c1ccoc1 |
|
AD14888 | 0.81 | 253.25 | C11H9N8 | Nc1nc(NN=Cc2ccncc2)nc2c1N=C[N]2 |
|
AD14889 | 3.48 | 847.96 | C39H67O9N4SBr | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=S)Nc2ccc(Br)cc2)C(C)C(O)C1(C)O |
|
AD14890 | 4.14 | 430.27 | C18H17N5I | CCCCC#Cc1nc2c(c(NCc3cccc(I)c3)n1)N=C[N]2 |