natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD007498 | 4.04 | 873.09 | C45H76O16 | CO[C@@H]1CC[C@H](O[C@@H]2C[C@H]([C@@H]3O[C@@](C)(O)[C@H](C)C[C@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@H](C)[C@H]([C@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@H](C)[C@H](O)[C@H]5OC)O4)O3)O2)O[C@H]1C |
|
GD007500 | -0.25 | 697.65 | C34H35O15N | COC(=O)c1c(C)cc2c(c1O)C1(O)C(=O)c3cc4c(c(O)c3C(=O)C1(OC)C(O)C2)C(=O)C=C(NC1OC(C)C(OC)C(O)C1OC)C4=O |
|
GD007509 | -3.35 | 390.34 | C16H22O11 | O=C(O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=C[C@H](O)[C@H]12 |
|
GD007515 | -0.12 | 176.21 | C8H16O4 | CO[C@@]1(C)C[C@H](O)O[C@H](C)[C@H]1O |
|
GD007518 | 1.64 | 597.75 | C31H51O10N | CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(O)C(N(C)C)C2O)C(CC=O)CC(C)C(=O)C=CC2(C)OC2C1C |
|
GD007532 | -3.85 | 447.53 | C19H37O7N5 | CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CN)=CCC3N)C2O)OCC1(C)O |
|
GD007537 | -3.59 | 182.17 | C6H14O6 | OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO |
|
GD007542 | 0.48 | 511.53 | C27H29O9N | Cc1[nH]c2ccc3c(c2c(=O)c1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@H](O)[C@@]3(c2ccccc2)O1 |
|
GD007544 | -1.66 | 1205.39 | C59H96O25 | C=C(C)[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H](O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 |
|
GD007549 | -2.8 | 596.45 | C20H25O10N10P | Nc1ncnc2c1ncn2C1O[C@H](CO)C(OP(=O)(O)OC[C@@H]2OC(n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)[C@H]1O |