aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12951 | 1.9 | 137.14 | C7H7O2N | Cc1cccc([N+](=O)[O-])c1 |
|
AD12952 | -1.1 | 134.13 | C5H10O4 | CC(=O)OCC(O)CO |
|
AD12953 | 0.87 | 231.21 | C11H9O3N3 | N#Cc1ccc(C=CC(=O)NNC(=O)O)cc1 |
|
AD12954 | -2.87 | 416.48 | C16H32O5N8 | [N-]=[N+]=NC1C(O)C(NC(=O)C(O)CCN)CC(N)C1OC1OC(CN)CCC1N |
|
AD12955 | 3.07 | 288.86 | C16H29ON2Cl | CCCCCCC1CCNC(C(=O)NCC(C)Cl)C1 |
|
AD12956 | 1.46 | 614.73 | C31H50O12 | CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(O)C(=O)C2O)C(CC(OC)OC)CC(C)C(=O)C=CC(C)=CC1CO |
|
AD12957 | -1.93 | 139.11 | C5H5O2N3 | NC(=O)c1cc[nH+]nc1[O-] |
|
AD12958 | -0.38 | 740.7 | C32H45O14N4P | COP(=O)(O)OC1(C(=O)O)CC(O)C(NC(=O)Cn2cc(C3(O)CCC4C5CCc6cc(O)ccc6C5CCC43C)nn2)C(C(O)C(O)CO)O1 |
|
AD12959 | 3.17 | 203.1 | C7H7SBr | CSc1ccc(Br)cc1 |
|
AD12960 | 4.52 | 437.24 | C23H10O3N4Cl2 | O=CNN1C(=O)c2c(c3c4cccc(Cl)c4[nH]c3c3[nH]c4c(Cl)cccc4c23)C1=O |