natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD114016 | 6.29 | 600.84 | C36H56O7 | C[C@H]1O[C@@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@]4(C)[C@@H]3C(=O)C=C3[C@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]34C)C2(C)C)C[C@@H](O)[C@H]1O |
|
GD114017 | 6.29 | 600.84 | C36H56O7 | C[C@@H]1O[C@@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@]4(C)[C@@H]3C(=O)C=C3[C@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]34C)C2(C)C)C[C@@H](O)[C@H]1O |
|
GD114018 | 6.29 | 600.84 | C36H56O7 | C[C@@H]1O[C@@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@]4(C)[C@@H]3C(=O)C=C3[C@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]34C)C2(C)C)C[C@@H](O)[C@@H]1O |
|
GD114051 | 5.13 | 604.87 | C36H60O7 | C=C(CCC=C(C)C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C |
|
GD114147 | -0.11 | 666.67 | C32H42O15 | CC(=O)OCC1(O)C(O)CC2C(COC3OC(CO)C(O)C(O)C3OC(=O)C=Cc3ccc(O)cc3)=COC(OC(=O)CC(C)C)C21 |
|
GD114148 | 2.16 | 760.97 | C41H64O11N2 | CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C3(C)CC3NCC5(CC6CN=C(O)C6)C(O)C(OC6OCC(O)C(O)C6O)C(C)(CO)C3C45C)C2C1 |
|
GD114149 | 0.97 | 427.49 | C21H33O8N | CC=C(C)C(=O)OC1CC[N+]2([O-])CC=C(COC(=O)C(O)(C(C)OC)C(C)(C)O)C12 |
|
GD114150 | 1.17 | 528.64 | C27H44O10 | CCC=CCC1C(=O)C=CC1CCCCCCCC(=O)OCC(O)COC1OC(CO)C(O)C(O)C1O |
|
GD114151 | 0.86 | 743.81 | C39H45O10N5 | CNC(=N)NCc1c(CCc2ccccc2)cc2c(c1O)C(=O)c1c(OC3OC(CO)C(O)(CCC4=CCNC(N)=C4)C(O)C3O)cc(OC)cc1C2=O |
|
GD114152 | 2.52 | 1041.24 | C53H84O20 | CC=C(C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5CC(OC)C(OC6OC(C)C(OC7OC(CO)C(O)C(O)C7O)C(OC)C6O)C(C)O5)C(C)O4)CCC32C)C2(O)CCC(C(C)=O)C12C |