aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD19001 | 8.66 | 1433.34 | C72H71O20N7Cl2S | CCCCCCCCCCCCS(=O)(=O)NC1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)NC3=O |
|
AD19002 | 7.39 | 1686.58 | C81H78O24N10Cl2S2 | CCCSC1=C(SCCC)C(=O)N(CCOCCOCCOCCOCc2cn(C3C(=O)NC4Cc5ccc(c(Cl)c5)Oc5cc6cc(c5O)Oc5ccc(cc5Cl)C(O)C5NC(=O)C(NC(O)C6NC(=O)C(NC4=O)c4cc(O)cc(c4)Oc4cc3ccc4O)c3ccc(O)c(c3)-c3c(O)cc(O)cc3C(C(=O)O)NC5=O)nn2)C1=O |
|
AD19003 | 1.98 | 528.74 | C26H52O5N6 | CCCCCCCCCCCCCC(=O)NC(CCCNC(=N)N)C(=O)NCCCNC(CO)C(=O)O |
|
AD19004 | 0.65 | 231.21 | C11H8ON4F | NC(=O)C1=N[N]C(C=Cc2ccccc2F)=N1 |
|
AD19005 | 0.03 | 230.2 | C7H6O5N2S | O=CNS(=O)(=O)c1ccccc1[N+](=O)[O-] |
|
AD19006 | 3.02 | 283.24 | C14H9O4N3 | O=[N+]([O-])c1cccc(-c2nnc(-c3ccc(O)cc3)o2)c1 |
|
AD19007 | 2.84 | 540.74 | C30H52O8 | C=CC=CCCCCCCCCCCC=CC(O)C(O)C1OC(C(O)C(O)C(=C)CCCO)CC(O)C1O |
|
AD19008 | 3.85 | 268.74 | C18H13OCl | C#Cc1ccc(Cc2ccc3c(c2Cl)OCC3)cc1 |
|
AD19009 | -2.08 | 418.45 | C17H30O8N4 | CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCN)C(=O)O)C(=O)O |
|
AD19010 | 2.17 | 282.27 | C12H14ON5F2 | Nc1nc(OCC2CCC(F)(F)CC2)nc2c1N=C[N]2 |