aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD07501 | 3.85 | 376.54 | C23H36O4 | COC(=O)C=CC1CCC2(O)C3CCC4CC(O)CCC4(C)C3CCC12C |
|
AD07502 | 0.64 | 158.14 | C7H4N5 | C1=Nc2c(ncn3ccnc23)[N]1 |
|
AD07503 | 3.46 | 422.32 | C6H17O9P3S3 | COP(=O)(S)OCC(COP(=O)(S)OC)OP(=O)(S)OC |
|
AD07504 | 0.79 | 439.54 | C18H17O6NS3 | COC(=O)NC1=C2C(=CCSSSC)C(O)(C#CC=CC#CC2O)C(O)C1=O |
|
AD07505 | 0.22 | 296.29 | C14H12O2N6 | N#Cc1ccc(OCC[N+]2=C[N]c3nc(N)[nH]c(=O)c32)cc1 |
|
AD07506 | 4.19 | 890.13 | C46H75O12N5 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)Cc3ccc(-c4cn(CCCCCCCC(=O)NO)nn4)cc3)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O |
|
AD07507 | 0.05 | 596.65 | C28H36O7N8 | CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)NCCNCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O |
|
AD07508 | 1.4 | 183.21 | C9H13O3N | CC(C)(C)C(=O)c1cc(CO)on1 |
|
AD07509 | 3.18 | 532.74 | C27H48O8S | CC(C)C(O)CCC(C)C1CC(OS(=O)(=O)O)C2C3C(O)C(O)C4CC(O)CCC4(C)C3CCC12C |
|
AD07510 | 2.42 | 143.27 | C9H21N | CNC(C)CCCC(C)C |