aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD08941 | -0.67 | 270.97 | CH6O10P3 | COP(=O)([O-])OP(=O)(O)OP(=O)(O)O |
|
AD08942 | -0.21 | 1411.96 | C44H62O30N11P5S | COP(=O)(O)OC1CC(n2cnc3c(CCSC)nc(N)nc32)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(O)O |
|
AD08943 | 1.44 | 275.35 | C15H21O2N3 | CN(CCc1c[nH]c2ccccc12)CCC(N)C(=O)O |
|
AD08944 | 0.64 | 265.75 | C8H8O2N3ClS2 | NC(=S)Nc1ccc(S(N)(=O)=O)cc1Cl |
|
AD08945 | 2.17 | 285.37 | C16H21ON4 | CCCCCc1ccc(CCC2=N[N]C(C(N)=O)=N2)cc1 |
|
AD08946 | 2.73 | 385.42 | C21H23O6N | CCn1cc(C(=O)O)c(=O)c2cc(C#CCOCCCCCC(=O)O)ccc21 |
|
AD08947 | 2.17 | 382.72 | C15H14O4N5PCl | O=P(O)(O)OCC(Cc1ccccc1)Nc1nc(Cl)nc2c1N=C[N]2 |
|
AD08948 | 0.49 | 354.36 | C19H18O5N2 | O=C(OCC1NC(=O)C(CO)NC1=O)c1ccc(-c2ccccc2)cc1 |
|
AD08949 | 2.05 | 440.56 | C21H32O6N2S | COC1C(C)OC(O)CC1(C)NC(=O)C(CCSC)NC(=O)OCc1ccccc1 |
|
AD08950 | 4.09 | 446.63 | C27H42O5 | CC1CCC2(OC1)OC1CC3C4CC(=O)C5(O)CC(O)CCC5(C)C4CCC3(C)C1C2C |