Glycoside
GD139997
Name:
6-(4-chlorophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C13H13O7ClSmiles:
O=C(O)C1OC(Oc2ccc(Cl)cc2)C(O)C(O)C1OAglycone:
Oc1ccc(Cl)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 304.68 | Num_heavy_atoms: | 20 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD12677
Formula: C7H5OCl
Smiles:
Oc1ccc(Cl)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 0 |
| MolWt: | 128.56 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
