aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD03401 | 0.23 | 273.27 | C10H11O6NS | COS(=O)(=O)NC(=O)c1ccccc1OC(C)=O |
|
AD03402 | -0.48 | 288.27 | C12H12O3N6 | O=C(O)C(O)Cn1cc(Cn2nnc3ccccc32)nn1 |
|
AD03403 | -1.26 | 580.49 | C17H34O12N4P2S | COP(=O)(O)OP(=O)(O)OCCC(O)C(=O)NCCSCC(=O)NCCCCC(NC(C)=O)C(N)=O |
|
AD03404 | -6.21 | 1034.14 | C45H71O15N13 | CCC(C)C(NC(C)=O)C(=O)NC(C)C(=O)NC(C)C(=O)NCC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(CCC(O)CN)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(N)=O |
|
AD03405 | 3.5 | 394.49 | C18H39O5N2P | CCCCCCCCCCCCCCNC(=O)C(CO)NP(=O)(O)OC |
|
AD03406 | 2.81 | 221.3 | C16H15N | CNCc1ccccc1C#Cc1ccccc1 |
|
AD03407 | -1.26 | 496.2 | C11H19O14N2P3 | COP(=O)(O)OP(=O)(O)OP(=O)(O)Cc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O |
|
AD03408 | -0.58 | 116.16 | C5H12ON2 | CN(C)CCC(N)=O |
|
AD03409 | 3.26 | 353.47 | C21H27O2N3 | Cn1cc(C2(O)CCC3C4CCc5cc(O)ccc5C4CCC32C)nn1 |
|
AD03410 | 1.39 | 251.67 | C12H10O2N3Cl | O=c1[nH]ccc(=NOCc2cccc(Cl)c2)[nH]1 |