natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD116403 | -0.65 | 1159.19 | C54H78O27 | CC=C(C)C(=O)OCC1OC(OC2OC(COC(=O)C(C)=CC)C(O)C(O)C2OC2OC(CO)C(OC(=O)C(C)=CC)C(OC(=O)C(C)=CC)C2O)C(OC2OC(CO)C(OC(=O)C(C)=CC)C(OC(=O)C(C)=CC)C2O)C(O)C1O |
|
GD116404 | -3.5 | 580.54 | C27H32O14 | Cc1cc(O)c2c(c1)C(O)(C1OC(CO)C(O)C(O)C1O)c1cccc(OC3OC(CO)C(O)C(O)C3O)c1C2=O |
|
GD116405 | 1.78 | 1009.19 | C49H84O21 | CCCCCC1CCCCCCCCCC(=O)OC2C(CC3OC(C)C(OC(=O)C(C)C)C(O)C3O)C(C)OC(OC3C(OC(CO)C(O)C3O)OC3C(O1)OC(O)C(O)C3O)C2OC(=O)C(C)CC |
|
GD116406 | -0.92 | 554.55 | C26H34O13 | COC(=O)C1=CCC(OC2OC(CO)C(O)C(O)C2O)C(CC=O)C1CC(=O)OCCc1ccc(O)c(O)c1 |
|
GD116407 | 2.77 | 898.15 | C48H75O11N5 | CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C3(C)CC3NCC5(CC6CC(O)=NC6C(CCCN)c6cnc[nH]6)C(O)C(OC6OCC(O)C(O)C6O)C(C)(CO)C3C45C)C2C1 |
|
GD116408 | 0.03 | 666.67 | C32H42O15 | CC(C)=CCC1=C(O)C(O)=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C2C(=O)CC(c3ccc(O)cc3)OC12 |
|
GD116409 | -2.73 | 1141.31 | C54H92O25 | CC(C)(C=CCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C)OO |
|
GD116410 | 3.49 | 805.75 | C37H57O14Br | COC1C(C)OC(OC2C(OC)C(C)OC(OC3CC4OC(O)(C3)C(C)C(=O)OC(C=CC=CBr)CC(C)=CC(=O)C4(C)C)C2OC)C(OC)C1O |
|
GD116411 | 3.34 | 1157.35 | C58H92O23 | COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5C(O)CC(OC6CCC7(C)C(=CCC8(O)C7CC(OC(C)=O)C7(C)C(O)(C(C)=O)CCC87O)C6)OC5C)CC4OC(C)=O)CC3OC)CC2OC)OC(C)C1O |
|
GD116412 | -0.97 | 558.43 | C21H18O16S | O=C(O)C1OC(Oc2c(-c3ccc(O)c(OS(=O)(=O)O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O |