aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04111 | -10.19 | 2022.38 | C81H142O17N43S | N=C(N)NCCCC(NC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccc(OCC2=C[N]N=N2)cc1)C(=O)O |
|
AD04112 | 8.28 | 832.46 | C49H50O6N3ClS | CC1(C)C2=C3C=C4C5=[N+](CCC4OC3CCN2c2ccc(CC(=O)NCCCCOc3ccc(Cc4ccccc4Cl)cc3)cc21)c1ccc(S(=O)(=O)[O-])cc1C5(C)C |
|
AD04113 | 4.89 | 409.43 | C24H21O3NF2 | O=C1C(CCC(O)c2ccc(F)cc2)C(c2ccc(O)cc2)N1c1ccc(F)cc1 |
|
AD04114 | 4.75 | 616.75 | C37H44O8 | CC(OC(=O)c1ccccc1)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C |
|
AD04115 | 2.89 | 512.64 | C30H40O7 | CC(O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=Cc3ccccc3)C12C |
|
AD04116 | 0.6 | 192.22 | C10H12O2N2 | CCCCC#Cc1c[nH]c(=O)[nH]c1=O |
|
AD04117 | 0.59 | 182.2 | C7H6O2N2S | Cc1csc2c(=O)[nH]c(=O)[nH]c12 |
|
AD04118 | 2.3 | 391.86 | C17H16O2N6ClS | O=S(=O)(c1ccccc1)C1CCN(Nc2nc(Cl)nc3c2N=C[N]3)CC1 |
|
AD04119 | -0.86 | 143.14 | C6H9O3N | CC1OC(O)C(N)=CC1=O |
|
AD04120 | 6.57 | 342.57 | C24H38O | CCC1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3CCC12C |