aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12471 | 0.88 | 132.15 | C7H6N3 | Nc1ccnc2c1C=C[N]2 |
|
AD12472 | 1.73 | 231.28 | C12H15ON4 | O=c1c2c(ncn1CC1CCCCC1)[N]C=N2 |
|
AD12473 | -2.21 | 193.15 | C6H5O2N6 | NC(=O)C1=N[N]c2nc(N)[nH]c(=O)c21 |
|
AD12474 | -0.13 | 155.11 | C5H5O3N3 | Nc1cc[nH]c(=O)c1[N+](=O)[O-] |
|
AD12475 | 3.35 | 315.5 | C18H37O3N | CCCCCCCCCCCNC1(C)CC(O)OC(C)C1O |
|
AD12476 | 1.77 | 291.35 | C16H21O4N | CC1OC(O)CC(C)(NCc2cc3ccccc3o2)C1O |
|
AD12477 | 0.79 | 104.1 | C4H8O3 | CCOC(=O)OC |
|
AD12478 | 3.86 | 288.39 | C17H24O2N2 | Cc1c(Cc2ccc(OC(C)C)cc2)c(O)nn1C(C)C |
|
AD12479 | -3.52 | 1120.33 | C45H67O12N16S3 | CCOC(=O)C[S+](C)CCCNC(=O)c1csc(-c2csc(CCNC(=O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c3nc(C(CC(N)=O)NCC(N)C(N)=O)nc(N)c3C)C(O)c3c[nH]cn3)C(C)O)n2)n1 |
|
AD12480 | 3.55 | 555.75 | C29H47O8S | CCC(C(C)C)C1OC1C(C)(O)C1C(O)CC2C3CC(O)C4CC(OS(=O)(=O)[O-])CCC4(C)C3=CCC21C |