aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD08821 | 2.98 | 234.29 | C14H18O3 | COc1ccc(C2(C(=O)O)CCCCC2)cc1 |
|
AD08822 | 4.99 | 394.82 | C21H15O3N4Cl | O=[N+]([O-])c1ccc(NCc2ccc(Cc3ccccc3Cl)cc2)c2nonc12 |
|
AD08823 | 2.66 | 287.21 | C9H21O6P2 | CCCCCCCCP(=O)([O-])OP(=O)(O)OC |
|
AD08824 | 12.7 | 744.24 | C48H89O4N | CCCCCCCCCCC1CC1CCCCC=CCCCC(O)C(CO)NC(=O)C(O)CCC=CCCCCC1CC1CCCCCCCCCC |
|
AD08825 | 5.07 | 468.46 | C28H20O7 | COc1cc(O)c(C(=O)c2ccc(OC(=O)c3ccccc3)cc2)c(OC(=O)c2ccccc2)c1 |
|
AD08826 | 2.96 | 257.7 | C14H10N4Cl | Clc1cccc(CNc2ncnc3c2C=C[N]3)c1 |
|
AD08827 | -7.48 | 644.73 | C22H40O12N6S2 | CC(=O)NC1C(NC(=S)NCC(O)C(O)CNC(=S)NC2OC(CO)C(O)C(O)C2NC(C)=O)OC(CO)C(O)C1O |
|
AD08828 | 4.51 | 428.61 | C27H40O4 | C=C(CO)CCC1=C(C)C2C(CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC32C)O1 |
|
AD08829 | 0.82 | 349.37 | C18H17O2N6 | COC(=O)Cc1ccc(CCNC#Cc2nc(N)c3c(n2)[N]C=N3)cc1 |
|
AD08830 | 4.48 | 490.73 | C30H50O5 | CC1(C)C(=O)CCC2(C)C1CCC1(C)C2CC(O)C2C3(C)CCC(O)(C(C)(C)O)C3C(O)CC21C |