aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00491 | 0.82 | 125.17 | C7H11ON | C=CCN(C=O)CC=C |
|
AD00492 | 1.69 | 136.15 | C8H8O2 | Cc1ccc(C(=O)O)cc1 |
|
AD00493 | 1.6 | 202.15 | C8H11O4P | Cc1ccc(COP(=O)(O)O)cc1 |
|
AD00494 | 0.13 | 139.2 | C6H7N2S | NC(=S)c1ccc[nH+]c1 |
|
AD00495 | 1.6 | 229.26 | C11H7ON3S | N#Cc1c(-c2ccccc2)nc(S)[nH]c1=O |
|
AD00496 | 2.87 | 187.03 | C9H4N2Cl2 | Clc1cc2nc[nH]c2cc1Cl |
|
AD00497 | 4.16 | 384.52 | C24H32O4 | CC12CCC(O)C=C1CCC1C2CCC2(C)C(c3ccc(=O)oc3)CCC12O |
|
AD00498 | 0.18 | 110.05 | C2H7O3P | CCP(=O)(O)O |
|
AD00499 | 5.07 | 353.21 | C16H8O2N3Cl2S | O=[N+]([O-])c1ccc(CSC2=Nc3cc(Cl)c(Cl)cc3[N]2)cc1 |
|
AD00500 | 4.54 | 506.51 | C27H26O8N2 | Cc1c(O)ccc2cc(NC(=O)CCCCCCC(=O)Nc3cc4ccc(O)cc4oc3=O)c(=O)oc12 |