aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD15831 | 0.37 | 392.4 | C15H16O5N6S | COc1cc(NS(=O)(=O)c2ccc(-n3cc(CO)nn3)cc2)nc(OC)n1 |
|
AD15832 | 3.56 | 317.36 | C15H22ON3F3 | CC(C)N(C)CCCNC(=O)Nc1ccc(C(F)(F)F)cc1 |
|
AD15833 | -0.11 | 131.18 | C6H13O2N | CCC(=O)NCCCO |
|
AD15834 | -10.12 | 1602.48 | C70H89O23N16Br | CC(C=Cc1ccccc1)=CC(O)C1CC(=O)NC(CO)C(=O)NC2Cn3c[nH+]c(c3)CC(NC(=O)CC(O)CC(C(=O)[O-])NC(=O)C(O)CNC(=O)C(C(C)c3ccc(Br)cc3)NC(=O)C(C(O)C(N)=O)NC(=O)C(CC(N)=O)NC2=O)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC(Cc2ccccc2)C(=O)N1 |
|
AD15835 | -1.95 | 414.2 | C11H16O11N2P2 | O=c1ccn(C2C(O)C(O)C3(COP(=O)(O)OP(=O)(O)O)CC23)c(=O)[nH]1 |
|
AD15836 | 2.64 | 844.08 | C40H69O12N5S | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=S)Nc2ccc([N+](=O)[O-])cc2OC)C(C)C(O)C1(C)O |
|
AD15837 | 2.43 | 778.0 | C40H67O10N5 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=O)Nc2ccc(C#N)cc2)C(C)C(O)C1(C)O |
|
AD15838 | -0.76 | 180.15 | C6H6O2N5 | COC1=Nc2c(nc(N)[nH]c2=O)[N]1 |
|
AD15839 | -9.99 | 2209.55 | C99H157O25N33 | CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(N)=O)NC(=O)C(CC(N)=O)NC(=O)CN)C(C)C)C(=O)N1CCCC1C(=O)NC(CCC(N)=O)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)NC(Cc1c[nH]cn1)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)O)C(C)O |
|
AD15840 | -0.7 | 193.22 | C6H5N6S | NC(=S)C1=N[N]c2ncnc(N)c21 |