natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD116613 | -5.71 | 400.33 | C14H24O13 | CC(O)C(O)C(O)C(O)C(OC1OC(C(=O)O)C(O)C(O)C1O)C(O)C=O |
|
GD116614 | -1.8 | 946.82 | C42H46O23N2 | COc1cc(C=CC(=O)OCC2(O)COC(OC3C(Oc4cc5c(cc4O)N(CC=C4C=C(C(=O)O)NC(C(=O)O)C4)C(C(=O)O)C5)OC(COC(=O)CC(=O)O)C(O)C3O)C2O)ccc1O |
|
GD116615 | 1.15 | 694.88 | C33H58O13S | CC(C)C(CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O)OC1OC(COS(=O)(=O)O)C(O)C(O)C1O |
|
GD116616 | 0.95 | 542.62 | C27H42O11 | CC=C(C)C1CC=C(C)C(OC2OC(CO)C(O)C2O)C(OC(=O)CC(C)C)C(=O)CC(O)C(C)C(=O)O1 |
|
GD116617 | -6.39 | 1457.57 | C67H108O34 | CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7O)C(C)(CO)C6CCC5(C)C3(C)CC4)OCC(O)C2O)C(O)C(OC2OCC(O)(CO)C2O)C1OC1OCC(O)C(OC2OCC(O)(CO)C2O)C1O |
|
GD116618 | -0.75 | 698.8 | C35H54O14 | CC1OC(O)C(O)C(O)C1OC1OC(CO)C(OC2CCC3(C)C(CCC4C3C(O)CC3(C)C(C5=CCOC5=O)CCC43O)C2)C(O)C1O |
|
GD116619 | -3.38 | 497.41 | C20H23O12N3 | O=C1N=C(O)C(C2OCC(O)C(O)C2O)=CC1=Nc1cc(C2OCC(O)C(O)C2O)c(O)nc1O |
|
GD116620 | 3.14 | 721.8 | C38H47O11N3 | CC(C)CCCC(C)C(CNCC1(O)C(Oc2ccc3c(=O)c(-c4ccc(O)cc4)c(C(N)=O)oc3c2)OC(C(=O)O)C(O)C1O)Cc1cc[nH]c1 |
|
GD116621 | 5.9 | 1285.57 | C66H108O24 | COC1CC(OC2C(C)OC3(COC4C(C)OC(OC(C)C5(O)CCC6C7CC=C8CC(O)CCC8(C)C7CCC65C)CC4OCO3)CC2OC)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3OC(C)=O)C(C)O2)C(C)O1 |
|
GD116622 | 5.9 | 943.24 | C46H86O17S | CCCCCCCCCCCCCCCC(=O)OCC(COC1OC(CS(=O)(=O)O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC |