natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD116113 | 4.85 | 1658.07 | C82H148O31N2 | CCCCCCCCC=CCCCCCCCCCCCCCCCC(O)=NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3CC(C)=O)C(OC3(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O3)C2O)C(O)C1O)C(O)CCCCCCCCCCCCCCC |
|
GD116114 | -1.67 | 418.4 | C18H26O11 | CC(=O)OC1C(O)C(CO)OC(OC2OC=C(C(=O)O)C3CC(O)C(C)C23)C1O |
|
GD116115 | -1.16 | 606.53 | C28H30O15 | COc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2cc1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O |
|
GD116116 | -0.16 | 419.43 | C18H29O10N | COC(C(OC(C)=O)C(COC(C)=O)OC(C)=O)C(COC(C)=O)N(C)C(C)=O |
|
GD116117 | -1.29 | 313.26 | C13H15O8N | OCC1OC(Oc2ccc3nc(O)oc3c2)C(O)C(O)C1O |
|
GD116118 | 6.56 | 980.37 | C52H101O15N | CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC |
|
GD116119 | 2.69 | 917.1 | C49H72O16 | CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)CC1OC(=O)c1ccccc1 |
|
GD116120 | -2.52 | 713.62 | C31H37O19 | COC(=O)CC(=O)OCC1OC(OC2=C(c3ccc(O)c(O)c3)OC3C=C(O)C=C(O)C3=C2)C(O)C(OC2OC(C[OH2+])C(O)C(O)C2O)C1O |
|
GD116121 | -0.15 | 806.86 | C33H46O17N2S2 | COC1CC(OC2C(O)C(C3(O)CC(=O)C(=N)C(C(=O)O)=C3O)OC(COC(C)=O)C2OC(=O)C2N=C(S)SC2C)OC(C)C1(O)C(C)OC(=O)C(C)C |
|
GD116122 | -2.26 | 613.55 | C27H33O16 | CC1OC(OC2=Cc3c(cc(O)cc3OC3OC(C[OH2+])C(O)C(O)C3O)OC2c2cc(O)c(O)c(O)c2)C(O)C(O)C1O |