aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD21971 | 2.35 | 294.38 | C17H20N5 | CC(C)(C#N)c1cc(Cn2c[nH+]cn2)cc(C(C)(C)C#N)c1 |
|
AD21972 | 6.44 | 821.1 | C46H76O12 | CCC1C(O)CC(OC)(C(C)C(O)C(C)C2OC(=O)C(C)=CC=CC(C)C(C(C)C(O)C(C)C3(OC)CC(O)C(CC)C(C)O3)OC(=O)C(C)=CC=CC2C)OC1C |
|
AD21973 | 2.63 | 359.34 | C20H13O4N3 | O=C1NC(=O)C(c2c[nH]c3c(O)cccc23)=C1c1c[nH]c2c(O)cccc12 |
|
AD21974 | 0.19 | 219.22 | C7H9O5NS | CNS(=O)(=O)c1cc(C(=O)O)c(C)o1 |
|
AD21975 | -1.72 | 989.18 | C47H76O13N10 | CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C)NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(N)Cc1ccc(O)cc1)C(C)O)C(C)C)C(C)C)C(C)C)C(C)C)C(=O)O |
|
AD21976 | 3.41 | 276.72 | C16H13O3Cl | Oc1ccc(Cc2ccc3c(c2)OCCO3)c(Cl)c1 |
|
AD21977 | -2.04 | 467.49 | C16H30O7N5PS | COP(O)(=S)OC1C(CO)OC(n2ccc(=O)[nH]c2=O)C1NCCCCNCCN |
|
AD21978 | -0.84 | 74.13 | C3H10N2 | CNCCN |
|
AD21979 | 2.38 | 298.29 | C17H14O5 | CC(=O)C1c2cc(C)cc(O)c2C(=O)c2c(O)cc(O)cc21 |
|
AD21980 | 0.3 | 140.23 | C8H16N2 | CN1CCCC2(CNC2)C1 |