aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04961 | -0.54 | 161.2 | C7H15O3N | COC1CC(O)OC(C)C1N |
|
AD04962 | -3.93 | 405.5 | C17H35O6N5 | CNCC1CCC(N)C(OC2C(N)CC(NC(=O)C(O)CCN)C(O)C2O)O1 |
|
AD04963 | 1.08 | 151.16 | C8H9O2N | C=CC(=O)NCc1ccco1 |
|
AD04964 | -1.24 | 192.16 | C6H6ON7 | NC(=NO)C1=N[N]c2ncnc(N)c21 |
|
AD04965 | 0.38 | 84.08 | C3H4ON2 | Cc1ncno1 |
|
AD04966 | 1.18 | 161.16 | C8H7ON3 | Oc1ccc(-c2nc[nH]n2)cc1 |
|
AD04967 | -3.39 | 2314.65 | C100H140O35N18S5 | COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(N(C(C)=O)C(=O)C(CS)NC(=O)C(CCC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(NC(=O)C(CNC(=O)C1CCCN1C(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCCCNC(=O)CCS)NC(=O)CCS)NC(=O)C1CCCN1C(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCCCNC(=O)CCS)NC(=O)CCS)C(C)O)CC2 |
|
AD04968 | 4.55 | 259.71 | C16H11NFCl | Fc1ccc(Cc2c[nH]c3cccc(Cl)c23)cc1 |
|
AD04969 | 1.52 | 613.79 | C32H55O10N | C#CCOC1(C)CC(C)C(=O)C(C)C(O)C(C)(O)C(CC)OC(=O)C(C)C(O)C(C)C1OC1OC(C)CC(N(C)C)C1O |
|
AD04970 | 3.28 | 168.24 | C13H12 | c1ccc(Cc2ccccc2)cc1 |