aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD10441 | 1.12 | 230.25 | C11H12ON5 | C1=Nc2c(ncnc2NC2CCC3OC3C2)[N]1 |
|
AD10442 | -0.42 | 312.24 | C5H14O7P2S2 | OC(CCOP(O)(O)=S)CCOP(O)(O)=S |
|
AD10443 | 1.35 | 217.26 | C10H13N6 | CC(C)=CCNc1nc(N)nc2c1N=C[N]2 |
|
AD10444 | 3.26 | 472.41 | C24H16O7N4 | COc1nc(O)nc(N=C2C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)O)=C2)n1 |
|
AD10445 | 3.75 | 366.21 | C13H9N3SI | IC1=C[N]c2ncnc(SCc3ccccc3)c21 |
|
AD10446 | 7.1 | 1631.72 | C88H86O20N12 | O=C(CO)NCOCOCCNC(=O)c1ccc(-c2c3nc(c(-c4ccc(C(=O)NCCOCOCNC(=O)CO)cc4)c4[nH]c(c(-c5ccc(C(=O)NCCOCOCNC(=O)CO)cc5)c5nc(c(-c6ccc(C(=O)NCCOCOCNC(=O)CO)cc6)c6[nH]c2c2ccccc62)-c2ccccc2-5)c2ccccc42)-c2ccccc2-3)cc1 |
|
AD10447 | -0.06 | 133.17 | C4H7O2NS | CS(=O)(=O)CCC#N |
|
AD10448 | 4.9 | 439.69 | C25H49O3N3 | CCCCCCCCCCCCCCCCNC(=O)C1COC(CCCN)N1C(C)=O |
|
AD10449 | 4.35 | 1362.67 | C69H107O17N11 | COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN(Cc6cn(CCCCCCCCCCCCOC7C(O)C(N)CC(N)C7OC7OC(CN)C(O)CC7N)nn6)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C |
|
AD10450 | 2.98 | 351.49 | C20H33O4N | CCCCCCOc1ccc(CNC2(C)CC(O)OC(C)C2O)cc1 |