aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00971 | 3.18 | 311.3 | C16H13O4N3 | O=C(O)CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12 |
|
AD00972 | 0.59 | 251.27 | C13H11N6 | NC1=NC2=C(N=C[N]2)C2=NC(c3ccccc3)CN12 |
|
AD00973 | 2.81 | 286.28 | C16H14O5 | COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1 |
|
AD00974 | 3.0 | 607.8 | C33H49O4N7 | CCn1c2ccccc2c2cc(NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(N)C(C)C)ccc21 |
|
AD00975 | 6.81 | 1491.44 | C76H85O20N9Cl2 | CCCCCCCOc1ccc(CNC2(C)CC(OC3c4ccc(c(Cl)c4)Oc4cc5cc(c4O)Oc4ccc(cc4Cl)C(O)C(NC(=O)C(CC(C)C)NC)C(=O)NC(CC(N)=O)C(=O)NC5C(=O)NC4C(=O)NC3C(=O)NC(C(=O)O)c3cc(O)cc(O)c3-c3cc4ccc3O)OC(C)C2O)cc1 |
|
AD00976 | 5.37 | 474.73 | C30H50O4 | CC(C)C(=O)CCC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CC(O)C12C |
|
AD00977 | 4.57 | 412.11 | C14H8ON2SBr2 | O=c1c2cc(Br)cc(Br)c2[nH]c(=S)n1-c1ccccc1 |
|
AD00978 | 2.4 | 118.24 | C6H14S | CSCCC(C)C |
|
AD00979 | 0.14 | 470.49 | C22H26O6N6 | CC(=Cc1ccc(O)c(O)c1)C(=O)NC1C(CO)OC(n2cnc3c(N(C)C)ncnc32)C1O |
|
AD00980 | 5.15 | 394.22 | C22H9O2N3Cl2 | O=C1NC(=O)c2c1c1c3cccc(Cl)c3[nH]c1c1[nH]c3c(Cl)cccc3c21 |