natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD104866 | 2.25 | 822.94 | C42H62O16 | CC1(C)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]2O)CC[C@]2(C)[C@H]1CC[C@@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C |
|
GD104867 | 2.41 | 492.61 | C27H40O8 | CO[C@H]1[C@@H](O)[C@H](O)[C@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)O[C@@H]1C |
|
GD104937 | 2.95 | 476.57 | C26H36O8 | CC1=C(/C=C\C(C)=C/C=C/C(C)=C\C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CCC1 |
|
GD104938 | 2.95 | 476.57 | C26H36O8 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CCC1 |
|
GD104975 | 2.95 | 476.57 | C26H36O8 | CC1=C(/C=C/C(C)=C\C=C\C(C)=C/C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CCC1 |
|
GD104976 | 2.95 | 476.57 | C26H36O8 | CC1=C(/C=C/C(C)=C\C=C\C(C)=C\C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CCC1 |
|
GD104977 | 2.95 | 476.57 | C26H36O8 | CC1=C(/C=C\C(C)=C/C=C/C(C)=C/C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CCC1 |
|
GD104989 | 2.93 | 592.98 | C29H29O12Cl | CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc(Cl)cc3)c(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD104990 | 2.93 | 592.98 | C29H29O12Cl | CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc(Cl)cc3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD104991 | 2.93 | 592.98 | C29H29O12Cl | CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc(Cl)cc3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |