Glycoside
GD136722
Name:
6-(benzoyloxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C13H14O8Smiles:
O=C(OC1OC(C(=O)O)C(O)C(O)C1O)c1ccccc1Aglycone:
O=C(O)c1ccccc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 298.25 | Num_heavy_atoms: | 21 |
| TPSA: | 133.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
