natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD013909 | 1.91 | 578.7 | C31H46O10 | CC[C@@H]1CCCC=CC=C[C@H](O)C[C@H](O)CC=CC=C[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC=CC=CC(=O)O1 |
|
GD013911 | -2.46 | 668.65 | C31H40O16 | CC(C)=CC(=O)O[C@@H]1C(=O)O[C@@H]2C[C@@H]3[C@H](C)C(=O)C(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)=C[C@@]3(C)[C@@H]3[C@H](O)[C@H](O)[C@]4(C(=O)O)OC[C@]32[C@H]14 |
|
GD013914 | -3.2 | 224.21 | C8H16O7 | OCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
|
GD013928 | -0.9 | 714.63 | C34H34O17 | CC(=O)c1c(O[C@@H]2OC[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)cc(O)c(-c2c(C)cc(O)c3c2C(=O)c2cccc(O)c2C3=O)c1O |
|
GD013932 | 1.42 | 729.78 | C37H47O14N | CO[C@@H]1[C@H](C)O[C@H](O[C@@H]2C[C@@](C)(O)Cc3cc4c(c(O)c32)C(=O)c2c(O)cc3c(c2C4=O)O[C@@H]2O[C@@]3(C)[C@H](O)[C@H](N(C)C)[C@H]2O)[C@H](OC)[C@]1(C)OC |
|
GD013934 | 4.85 | 1083.32 | C56H90O20 | COC1CC(OC2CCC3(C)C(=CCC4C3C(OC(C)=O)C(OC(=O)CC(C)C)C3(C)C(C(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1 |
|
GD013938 | -1.51 | 610.61 | C29H38O14 | COC(=O)c1c(CC=C(C)C)c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c2ccccc2c1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
|
GD013941 | 0.62 | 538.59 | C27H38O11 | COc1cc(CC[C@H](O)C[C@H](CCc2ccc(O)c(OC)c2)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O |
|
GD013942 | 2.7 | 568.53 | C29H28O12 | COc1cc2c(O[C@@H]3O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@H]3O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3 |
|
GD013946 | 4.93 | 478.67 | C28H46O6 | C=C[C@](C)(CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@@]12C)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1OC(C)=O |