aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05871 | 2.16 | 1229.07 | C59H61O17N10Cl2 | CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)c(CNCCC[NH])c(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |
|
AD05872 | 0.96 | 293.36 | C16H23O4N | CC1OC(O)CC(C)(NCc2ccc3c(c2)OCC3)C1O |
|
AD05873 | 0.74 | 488.65 | C22H40O6N4S | O=C(CCCCCO)NCCCCCCNC(=O)CCCCC1C2NC(=O)NC2CS1(=O)=O |
|
AD05874 | 2.51 | 689.93 | C35H67O10N3 | CCCCNC(=O)OC1C(C)N(C)CC(C)CC(C)(O)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(O)C(C)C(=O)OC(CC)C1(C)O |
|
AD05875 | 2.13 | 156.22 | C9H16O2 | COC(=O)CCC1CCCC1 |
|
AD05876 | 2.45 | 350.37 | C20H18O4N2 | C=CC1C2=CC3c4[nH]c5ccccc5c4CCN3C(=O)C2=C(O)OC1O |
|
AD05877 | 1.87 | 430.64 | C19H34O3N4S2 | CSCCNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21 |
|
AD05878 | 1.15 | 768.91 | C38H56O9N8 | CCCCOc1ccc(-c2ccc(CCC(NC(=O)C(NC(=O)NC(C(=O)O)C(C)C)C3CCNC(=N)N3)C(=O)NCCCNC(CO)C(=O)O)cc2)cc1 |
|
AD05879 | 0.73 | 176.12 | C5H2ON7 | [N-]=[N+]=NC1=Nc2c(O)ncnc2[N]1 |
|
AD05880 | -0.97 | 391.38 | C18H21O7N3 | O=C(O)c1ccc(CNCC(O)C2CC(O)C(n3ccc(=O)[nH]c3=O)O2)cc1 |