aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD18931 | 9.69 | 510.76 | C33H50O4 | CCCCCCCCCCCCCCCCCCOc1ccc(C(=O)OC)c(OCc2ccccc2)c1 |
|
AD18932 | 4.12 | 257.72 | C16H12ONCl | Oc1cccc2[nH]cc(Cc3ccc(Cl)cc3)c12 |
|
AD18933 | 1.83 | 143.23 | C8H17ON | CCCCCCCC(N)=O |
|
AD18934 | 2.76 | 418.53 | C24H34O6 | CC12CCC3C(CCC4CC(O)CCC43COC=O)C1(O)CCC2C1=CC(=O)OC1 |
|
AD18935 | 3.02 | 1501.38 | C73H72O31N4 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NCC(=O)OCc2ccc(NC(=O)OCc3ccc(O)c([N+](=O)[O-])c3)c(COC(=O)NC3CC(OC4CC(O)(C(=O)CO)Cc5c(O)c6c(c(O)c54)C(=O)c4c(OC)cccc4C6=O)OC(C)C3O)c2)C(O)C(C)O1 |
|
AD18936 | 0.54 | 461.9 | C20H28O8N3Cl | COCC1C(CO)OC(N(Cc2ccc(OC)cc2)C(=O)N(CCCl)N=O)C(O)C1O |
|
AD18937 | 5.99 | 616.58 | C35H24O9N2 | Cc1c(O)ccc2cc(NC(=O)c3ccc4c(c3)-c3cc(C(=O)Nc5cc6ccc(O)c(C)c6oc5=O)ccc3OC4)c(=O)oc12 |
|
AD18938 | 2.16 | 771.99 | C38H69O11N5 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=O)Nc2c(C)noc2C)C(C)C(O)C1(C)O |
|
AD18939 | 4.42 | 276.79 | C16H13OClS | Clc1ccccc1Cc1ccc2c(c1)SCCO2 |
|
AD18940 | 2.59 | 286.3 | C12H8O2N5S | O=[N+]([O-])c1cccc(SCc2ncnc3c2N=C[N]3)c1 |