aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD21111 | 3.78 | 1497.66 | C64H68O19N14S5 | COC(C)=C1NC(=O)C(C(C)O)NC(=O)c2csc(n2)-c2cc(O)c(-c3nc(C(=O)NC(C)C(=O)NCCCO)cs3)nc2-c2csc(n2)C2COC(=O)c3c4c5c(cccc5n3O)COC(=O)C(OC3CC(C)(O)C(N(C)C)C(C)O3)C(OC4)C(NC(=O)c3csc1n3)c1nc(cs1)C(=O)N2 |
|
AD21112 | 2.03 | 442.49 | C23H27O4N4F | COc1c(N2CC3CCCN(C(C)=O)C3C2)c(F)cc2c(=O)c(C(N)=O)cn(C3CC3)c12 |
|
AD21113 | 2.94 | 259.35 | C13H25O4N | CC(C)(C)OC(=O)NCCCCCCCC(=O)O |
|
AD21114 | 2.83 | 238.7 | C12H13ON3Cl | CCCCCOc1ncnc2c1C(Cl)=C[N]2 |
|
AD21115 | 2.3 | 224.67 | C11H11ON3Cl | CC(C)COc1ncnc2c1C(Cl)=C[N]2 |
|
AD21116 | 1.42 | 612.55 | C20H39O12N2FP2S | CCCCCC(O)C(F)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC |
|
AD21117 | 1.81 | 181.14 | C9H5ONF2 | O=c1[nH]ccc2cc(F)c(F)cc12 |
|
AD21118 | 4.79 | 540.48 | C30H20O10 | O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12 |
|
AD21119 | 0.78 | 245.27 | C11H13ON6 | CCN(CC)c1cn2c(=O)c3c(nc2[nH]1)[N]C=N3 |
|
AD21120 | 1.75 | 481.46 | C24H23O8N3 | COc1cc(C2c3cc4c(cc3C(n3cc(CO)nn3)C3COC(=O)C23)OCO4)cc(OC)c1O |