natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD118552 | -0.93 | 634.7 | C32H44O12N | COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C=C3CCCCC3CCC(=CC3=CC(C(=O)O)=C[NH+](CCO)C3)C12 |
|
GD118553 | 4.56 | 941.16 | C49H80O17 | COC1CC(OC2CCC3(C)C(CCC45OC(C)C6CCC(=O)C6(C)C(CC43)O5)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1 |
|
GD118554 | -0.01 | 466.51 | C23H32O9N | CC(C)CCc1ccc2[n-]c(CO)c(OC(=O)C3OC(O)(CO)C(O)C3OCCCO)c2c1 |
|
GD118555 | 4.18 | 702.88 | C39H58O11 | CC(=O)OC1COC(OC2CCC34CC35CCC3(C)C6C(C)CC7OC6(OC7C(C)(C)O)C(O)C3(C)C5=CCC4C2(C)C)C(OC(C)=O)C1O |
|
GD118556 | -1.08 | 424.36 | C19H20O11 | O=C(c1cc(O)ccc1OC1OC(CO)C(O)C(O)C1O)c1c(O)cc(O)cc1O |
|
GD118557 | -2.47 | 1077.22 | C52H84O23 | CCC(=O)C1CC(C)C2(CCC3(C)C4=C(CCC32C)C2(C)CCC(OC3OC(COC5OCC(O)C(O)C5OC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)C(O)C(O)C3O)C(CO)(CO)C2CC4)O1 |
|
GD118558 | -4.35 | 1209.34 | C57H92O27 | CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(CO)C(O)C(O)C7O)C(C)(CO)C6C(O)CC5(C)C3(C)CC4)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)(CO)C2O)C1O |
|
GD118559 | -0.29 | 1964.21 | C90H154O42N4 | CCCCCCC=CCCCCCCCCCC(O)=NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3CC(C)=O)C(OC3(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(CO)OC4(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(CO)OC5(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O5)O4)O3)C2O)C(O)C1O)C(O)C=CCCCCCCCCCCCCC |
|
GD118560 | 0.86 | 1069.24 | C51H88O23 | CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(OC(C)C2OC2OC(C)C(OC3OC(C)C(O)C(O)C3O)C(OC3OC(C)C(O)C(O)C3O)C2OC(=O)C(C)CC)OC2C(O1)OC(C)C(O)C2O |
|
GD118561 | 1.08 | 671.7 | C34H41O13N | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3(C)OC1CC(N)C(OC2CC(O)C(O)C(C)O2)C(C)O1 |