Glycoside
GD122500
Name:
5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzene-1,3-dicarboxylic acidFormula:
C14H16O10Smiles:
O=C(O)c1cc(OC2OC(CO)C(O)C(O)C2O)cc(C(=O)O)c1Aglycone:
O=C(O)c1cc(O)cc(C(=O)O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | -1.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 344.27 | Num_heavy_atoms: | 24 |
| TPSA: | 173.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD49371
Formula: C8H6O5
Smiles:
O=C(O)c1cc(O)cc(C(=O)O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.13 | Num_heavy_atoms: | 13 |
| TPSA: | 94.83 | NumAromaticRings: | 1 |
