aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04701 | -0.73 | 313.29 | C11H11O6N3S | O=CNCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 |
|
AD04702 | -0.3 | 202.2 | C9H8ON5 | CC(O)C#Cc1nc(N)c2c(n1)[N]C=N2 |
|
AD04703 | 2.76 | 418.53 | C24H34O6 | CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)C(OC=O)CC12O |
|
AD04704 | 1.66 | 374.36 | C18H14O2N8 | O=c1[nH]c(NN=CC=NNc2nc3ccccc3c(=O)[nH]2)nc2ccccc12 |
|
AD04705 | -1.35 | 127.1 | C4H5O2N3 | Nc1cc(=O)[nH]c(=O)[nH]1 |
|
AD04706 | 0.19 | 513.53 | C24H28O5N7F | O=CNCc1cn(CC(O)CN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)nn1 |
|
AD04707 | -1.14 | 771.93 | C31H45O5N15S2 | CSCCCCCCSCC(=O)NCCN(CC(=O)NCCN(CC(N)=O)C(=O)Cn1cnc2c(N)ncnc21)C(=O)Cn1cnc2c(N)ncnc21 |
|
AD04708 | 0.22 | 126.13 | C6H8O2N | Cc1[nH+]ccc(O)c1O |
|
AD04709 | 1.7 | 409.87 | C20H24O5N3Cl | O=C(O)c1cn(C2CC2)c2cc(Cl)c(NCCOCCNCCO)cc2c1=O |
|
AD04710 | 2.07 | 289.36 | C14H21ON6 | CC1(C)CC(CNc2ncnc3c2N=C[N]3)C(C)(C)N1O |