Glycoside
GD019251
Name:
GaertnerosideFormula:
C26H28O13Smiles:
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]1C=C[C@@]21C=C([C@H](O)c2ccc(O)cc2)C(=O)O1Aglycone:
COC(=O)C1=COC(O)C2C1C=CC21C=C(C(O)c2ccc(O)cc2)C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 6 |
| MolWt: | 548.5 | Num_heavy_atoms: | 39 |
| TPSA: | 201.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD01519
Formula: C20H18O8
Smiles:
COC(=O)C1=COC(O)C2C1C=CC21C=C(C(O)c2ccc(O)cc2)C(=O)O1| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 386.36 | Num_heavy_atoms: | 28 |
| TPSA: | 122.52 | NumAromaticRings: | 1 |
