Glycoside
GD044660
Name:
2,3,4,5-tetrahydroxy-6-oxohexyl benzoateFormula:
C13H16O7Smiles:
O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COC(=O)c1ccccc1Aglycone:
O=Cc1ccccc1Sugarmoiety:
O=CC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 284.26 | Num_heavy_atoms: | 20 |
| TPSA: | 124.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD01696
Formula: C7H6O
Smiles:
O=Cc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 106.12 | Num_heavy_atoms: | 8 |
| TPSA: | 17.07 | NumAromaticRings: | 1 |
