natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD119112 | 0.32 | 369.46 | C18H31O5N3 | O=C(CC1OC(CN=C(O)NC2CCCCC2)C(O)C1O)N1CCCC1 |
|
GD119113 | 1.55 | 738.91 | C39H62O13 | CC1=C(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC(OC5OCC(O)C(O)C5O)C5(C)CC(=O)CCC5(C)C4CCC3(C)C12 |
|
GD119114 | -1.63 | 193.22 | C6H11O4NS | N=C(S)C1OCC(O)C(O)C1O |
|
GD119115 | 5.83 | 778.06 | C42H67O10NS | COC1C(C)OC(OC2CC3C(C)=CC4C5CC(=O)OC(CSC)CCCC(OC6CCC(N(C)C)C(C)O6)C(C)C(=O)C5=CC4C3C2)C(OC)C1OC |
|
GD119116 | -4.11 | 1391.53 | C62H102O32S | CC(C)=CCCC(C)(O)C1CCC2C3CC(OC4OC(C)C(O)C(OC5OCC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21C |
|
GD119117 | 2.27 | 858.03 | C43H71O16N | CCC(=O)OC1CC(=O)OC(C)CC2OC2C=CC(O)C(C)CC(CC=O)C(OC2OC(C)C(OC3COC(C)C(OC(=O)CC(C)C)C3(C)O)C(N(C)C)C2O)C1OC |
|
GD119118 | -2.5 | 460.43 | C20H28O12 | COC(=O)c1ccccc1OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O |
|
GD119119 | -0.32 | 1387.57 | C68H106O29 | CC=C(C)C(=O)OC(C)C(C)C(=O)OC1C(OC(=O)C(C)=CC)COC(OC2C(O)C3(CO)C(O)CC4(C)C(=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC54C)C3CC2(C)C)C1O |
|
GD119120 | 3.17 | 634.81 | C35H54O10 | CC1(C)CCC2(C(=O)O)CCC3(C(=O)OC4OC(CO)C(O)C(O)C4O)C(=CCC4C5CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
GD119121 | 0.62 | 1083.33 | C55H86O14N8 | CNCC(C(N)O)C(O)C(c1cnc[nH]1)C1N=C(O)C(CO)C1CC1C(O)C(OC2OCC(O)C(O)C2O)C(C)(CO)C2CCC3(C)C(CC=C4C5CC(C)(CO)CCC5(C(=O)O)C5CNc6[nH]cnc6CC5C43C)C12C |