natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD121212 | 0.54 | 858.98 | C40H66O16N4 | CCCCCCCCCCCCCCC=CC(O)=NC1C(OC2OC(CO)C(O)C(O)C2N=C(C)O)OC(CC(O)C2OC(n3ccc(O)nc3=O)C(O)C2O)C(O)C1O |
|
GD121213 | 1.46 | 504.62 | C28H40O8 | CC=CC=CC(=O)C1C(C2(C)OC(O)C(C)C2O)C2C(C(O)C=CC=CC)C(O)C1(C)C(=O)C2(C)O |
|
GD121214 | -1.74 | 467.54 | C13H25O11NS3 | CS(=O)(=O)CCCCCC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O |
|
GD121215 | -1.04 | 538.55 | C26H34O12 | COc1cc(C2c3cc(O)c(OC)cc3CC(O)(CO)C2COC2OC(CO)C(O)C(O)C2O)ccc1O |
|
GD121216 | -0.25 | 929.11 | C47H76O18 | CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC43C)C2C1 |
|
GD121217 | 2.31 | 797.81 | C42H43O13N3 | CC(CC=Cc1ccccc1)C(CNC(O)C1(O)C(Oc2ccc3c(=O)c(-c4ccc(O)cc4)c(C(N)=O)oc3c2)OC(C(=O)O)C(O)C1(O)C=O)Cc1cc[nH]c1 |
|
GD121218 | -0.04 | 272.3 | C12H20O5N2 | CC(O)=NCC1OC(CC(O)=NC2CC2)C(O)C1O |
|
GD121219 | -2.08 | 374.34 | C16H22O10 | CC12OC1CC1C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C12 |
|
GD121220 | -2.7 | 686.7 | C32H46O16 | COC(=O)C12OCC34C(CC5C(C)=CC(OC6OC(CO)C(O)C(O)C6O)C(O)C5(C)C3C(O)C1O)OC(=O)C(OC(=O)CC(C)C)C24 |
|
GD121221 | 1.45 | 678.82 | C36H54O12 | CC1CC(=O)OC2CC3(C)C4CC(=O)C5C(C)(C)C(OC6OCC(O)C(O)C6OC6OCC(O)C(O)C6O)CCC56CC46CCC3(C)C12 |