aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00111 | 1.88 | 273.32 | C13H17ON6 | Nc1nc(NC(=O)CC2CCCCC2)nc2c1N=C[N]2 |
|
AD00112 | 0.86 | 575.74 | C29H53O10N | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O |
|
AD00113 | 2.15 | 104.22 | C5H12S | CSC(C)(C)C |
|
AD00114 | 1.11 | 273.23 | C11H16O5NP | COC(=O)C(Cc1ccccc1)NP(=O)(O)OC |
|
AD00115 | -0.65 | 111.1 | C4H5ON3 | Nc1cc[nH]c(=O)n1 |
|
AD00116 | -0.34 | 94.13 | C2H6O2S | CS(C)(=O)=O |
|
AD00117 | 3.74 | 713.87 | C38H55O10N3 | CCC(=O)OC1CC(=O)OC(C)CC(O)C(N(C)CCCn2cnc(-c3ccccc3)c2)C=CC(OC(C)=O)C(C)CC(CC=O)C(O)C1OC |
|
AD00118 | 5.38 | 486.69 | C30H46O5 | CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1 |
|
AD00119 | 1.39 | 125.21 | C8H15N | CNC1CC2CCC1C2 |
|
AD00120 | 4.34 | 366.49 | C21H28ON5 | CC(C)(C)c1cc(CCNc2ncnc3c2N=C[N]3)cc(C(C)(C)C)c1O |