aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05581 | 0.8 | 189.24 | C7H11O3NS | CNS(=O)(=O)c1cc(C)oc1C |
|
AD05582 | 0.78 | 259.35 | C10H13O3NS2 | CNS(=O)(=O)c1ccc(C#CC(C)(C)O)s1 |
|
AD05583 | 1.13 | 432.51 | C20H36O8N2 | O=C(NCCCOCCCCOCCCNC(=O)OCC=CCO)OCC=CCO |
|
AD05584 | 2.03 | 670.94 | C37H62O5N6 | NCC1OC(OC2C(N)CC(N)C(O)C2OCCCCCCCCCCN2CCN(Cc3cccc4ccccc34)CC2)C(N)CC1O |
|
AD05585 | -0.41 | 291.13 | C6H15O8NP2 | COP(=O)(O)OP(=O)(O)OCC1CC(O)CN1 |
|
AD05586 | 1.38 | 181.15 | C8H7O4N | COC(=O)c1cccc([N+](=O)[O-])c1 |
|
AD05587 | 14.03 | 3128.23 | C134H222O42N29P7 | CO[PH](OCCC#N)(OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[PH](OCCC#N)(OC1CC(n2ccc(N)nc2=O)OC1C(C)O[PH](OCCC#N)(OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[PH](OCCC#N)(OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[PH](OCCC#N)(OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[PH](OCCC#N)(OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[PH](OCCC#N)(OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO)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)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C |
|
AD05588 | 0.25 | 205.22 | C10H11O2N3 | OCc1cccc(-n2cc(CO)nn2)c1 |
|
AD05589 | 3.8 | 252.34 | C15H12N2S | c1ccc(Cc2nnc(-c3ccccc3)s2)cc1 |
|
AD05590 | 2.01 | 321.37 | C16H17N8 | Nc1nc(NN=Cc2ccc(N3CCCC3)cc2)nc2c1N=C[N]2 |