aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD09941 | -1.71 | 139.14 | C5H7ON4 | NCC1=N[N]C(C(N)=O)=C1 |
|
AD09942 | 3.92 | 1018.99 | C51H50O17N6 | COc1cc(C2c3cc4c(cc3C(n3cc(COCC(O)COCc5cn(C6c7cc8c(cc7C(c7cc(OC)c(O)c(OC)c7)C7C(=O)OCC76)OCO8)nn5)nn3)C3COC(=O)C23)OCO4)cc(OC)c1O |
|
AD09943 | -0.62 | 393.39 | C19H23O8N | C=CCC(=Cc1ccc(O)c(O)c1)C(=O)NC1C(O)C(O)C2OCOC2C1O |
|
AD09944 | 2.88 | 700.54 | C29H30O11N6P2 | COc1cccc(C(=O)NC2C(O)C(COP(=O)(O)OP(=O)(O)O)OC2n2cnc3c(NCc4cccc5ccccc45)ncnc32)c1 |
|
AD09945 | -0.4 | 123.13 | C6H7ON2 | NC(=O)c1cc[nH+]cc1 |
|
AD09946 | 0.36 | 188.23 | C11H12ON2 | CNCC#Cc1cccc(C(N)=O)c1 |
|
AD09947 | 2.7 | 187.24 | C12H13ON | COc1ccc(-c2cccn2C)cc1 |
|
AD09948 | 2.9 | 380.42 | C18H20O7S | C=CC(O)c1ccc(O)c(-c2cc(C(O)CC)ccc2OS(=O)(=O)O)c1 |
|
AD09949 | 2.76 | 241.29 | C15H15O2N | CN(C)C(=O)c1cccc(-c2ccccc2O)c1 |
|
AD09950 | 0.92 | 301.07 | C2H8O9P3S | COP(=O)([O-])OP(=O)(O)OP(=O)(S)OC |