natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD116063 | -1.15 | 604.52 | C28H28O15 | COc1cc([C]2[OH+]c3cc(O)cc4oc(=O)c(=CO)c(c34)=C2OC2OC(COC(C)=O)C(O)C(O)C2O)cc(OC)c1O |
|
GD116064 | -6.26 | 1515.65 | C70H114O35 | CC1OC(OC2C(CO)OC(OC3C(CO)OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC8OC(C)C(O)C(OC9OCC(OC%10OC(CO)C(O)C(O)C%10O)C(O)C9O)C8O)C(C)(CO)C7CCC6(C)C4(C)CC5)C(O)C3O)C(O)C2O)C(O)C(O)C1O |
|
GD116065 | 2.84 | 769.76 | C40H39O13N3 | CNCC(C(=O)O)C(=O)OC(O)C1OC(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)C(On2cc3cc[nH]c3c2-c2cc(C)cc(C)c2)C(O)C1O |
|
GD116066 | -2.58 | 707.78 | C36H45O10N5 | C[NH2+]CCC1(C)Oc2c(cc3c(=O)cc(C)oc3c2N2C=C3N=CC=C3C2)CC1OOCC(O)C(O)(CN1CC=C2[NH+]=CC=C21)C(O)C(O)CO |
|
GD116067 | 0.67 | 684.74 | C36H44O13 | C=C(C(=O)OC1C(CO)OC(OCC2=C3C(=O)C=C(C)C34CC(CC2)C(=C)C(=O)O4)C(O)C1O)C1CCC(CO)C2C(=O)C=C(C)C2(O)C1 |
|
GD116068 | -0.73 | 402.44 | C19H30O9 | CC(=O)CCC1C2(C)CC(OC3OC(CO)C(O)C(O)C3O)CC1(C)C(=O)O2 |
|
GD116069 | -0.02 | 536.53 | C26H32O12 | COc1cc(C2OC(O)C3C(c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)ccc1O |
|
GD116070 | 4.15 | 1163.38 | C55H103O23P | CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OC1C(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O |
|
GD116071 | 2.25 | 552.53 | C29H28O11 | COc1ccc2c(c1OC)OC1c3c(cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3-c3ccccc3)OCC21 |
|
GD116072 | -0.91 | 658.78 | C33H54O13 | C=CC1(C)CCC2(C)C(=CCC3C(C)(COC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C(O)C(O)CC32C)C1 |