aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD08071 | 6.21 | 472.71 | C30H48O4 | CC1(C(=O)O)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1 |
|
AD08072 | 0.56 | 330.24 | C11H15O6N4P | COP(=O)(O)OCC1CCC(n2cnc3c(=O)[nH]cnc32)O1 |
|
AD08073 | -1.28 | 157.13 | C5H7O3N3 | O=C(O)C(O)Cn1ccnn1 |
|
AD08074 | 3.63 | 399.45 | C24H21O3N3 | O=C(c1ccccc1)c1ccc(OCc2ccc(Cn3cc(CO)nn3)cc2)cc1 |
|
AD08075 | -1.55 | 138.13 | C6H6O2N2 | Nc1cc[nH+]cc1C(=O)[O-] |
|
AD08076 | 4.5 | 290.33 | C16H8ON3S | c1ccc2oc(-c3ncnc4c3-c3ccsc3[N]4)cc2c1 |
|
AD08077 | 1.02 | 175.19 | C9H9ON3 | NC1=Nc2ccccc2NC(=O)C1 |
|
AD08078 | 5.11 | 630.86 | C37H58O8 | CC=C(C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)C(OC(C)=O)C21CO |
|
AD08079 | 4.75 | 391.44 | C24H22O3NF | O=C1C(CCC(O)c2ccc(F)cc2)C(c2ccc(O)cc2)N1c1ccccc1 |
|
AD08080 | 0.91 | 190.23 | C9H12N5 | CCN(CC)c1ncnc2c1C=N[N]2 |