aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD14251 | 8.87 | 577.94 | C36H67O4N | CCCCCCCCCC=CCCC=CC(O)C(CO)NC(=O)C(O)C=CCCCCCCCCCCCCCC |
|
AD14252 | 1.86 | 131.22 | C4H5NS2 | CSc1nccs1 |
|
AD14253 | 11.33 | 2975.99 | C124H206O41N29P7 | CC1=CN(C2CC(O[PH](OCCC#N)(OC(C)C3OC(n4ccc(N)nc4=O)CC3O[PH](OCCC#N)(OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3O[PH](OCCC#N)(OC(C)C3OC(n4ccc(N)nc4=O)CC3O[PH](OCCC#N)(OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3O)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)C(CO[PH](OCCC#N)(OC3CC(n4ccc(N)nc4=O)OC3C(C)O[PH](OCCC#N)(OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(O)O)N(C(C)C)C(C)C)N(C(C)C)C(C)C)O2)C(O)NC1=O |
|
AD14254 | -0.22 | 184.19 | C9H12O4 | OCC(O)C(O)c1ccc(O)cc1 |
|
AD14255 | 0.51 | 692.67 | C36H36O14 | O=C(OC1C2C=COC(O)C2C2(CO)OC12)C1C(c2ccc(O)cc2)C(C(=O)OC2C3C=COC(O)C3C3(CO)OC23)C1c1ccc(O)cc1 |
|
AD14256 | 2.13 | 344.32 | C18H16O7 | CC(=O)C1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3C2(C)C1=O |
|
AD14257 | 6.3 | 461.73 | C29H51O3N | CCCCCCCCCCCCC=CC(O)C(CO)NC(=O)CC12CC3CC(CC(C3)C1)C2 |
|
AD14258 | 0.74 | 363.44 | C18H21O5NS | CSC1OC(CO)C(O)C(NC(=O)c2ccc3ccccc3c2)C1O |
|
AD14259 | 1.55 | 270.25 | C12H9N7F | Nc1nc(NN=Cc2ccccc2F)nc2c1N=C[N]2 |
|
AD14260 | 1.68 | 432.43 | C22H24O9 | COC(=O)C1=COC(O)C2C1C(OC(=O)C=Cc1ccc(O)cc1)CC2(C)OC(C)=O |