aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD06471 | 2.49 | 414.41 | C22H22O8 | COc1cc2c(c(OC)c1OC)-c1cc3c(cc1C(O)C1COC(=O)C1C2)OCO3 |
|
AD06472 | 3.86 | 296.24 | C15H11O3F3 | COC(=O)c1cccc(-c2ccc(O)c(C(F)(F)F)c2)c1 |
|
AD06473 | 0.24 | 490.41 | C15H28O10N2P2S | C#CCSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC |
|
AD06474 | 1.96 | 271.33 | C12H11N6S | Cc1cccc(CSc2nc(N)nc3c2N=C[N]3)n1 |
|
AD06475 | -1.84 | 155.11 | C5H5O3N3 | NC(=O)c1c[nH]c(=O)[nH]c1=O |
|
AD06476 | 0.43 | 241.24 | C10H9N8 | Nc1nc(-n2cc(C3CC3)nn2)nc2c1N=C[N]2 |
|
AD06477 | 4.37 | 314.33 | C18H12ON5 | C1=C(CNc2c3ccccc3nc3c2oc2ccccc23)N=N[N]1 |
|
AD06478 | -2.07 | 175.18 | C7H13O4N | CC(=O)N1CC(O)C(O)C1CO |
|
AD06479 | -2.58 | 442.26 | C12H20O10N4P2 | Nc1ccn(C2OC(COP(=O)(O)NCCCOP(=O)([O-])[O-])CC2O)c(=O)n1 |
|
AD06480 | 4.32 | 1369.24 | C69H67O17N11Cl2 | NCCCNCCCNCCCNC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)C2O)NC(=O)C(N)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21 |