Glycoside
GD122203
Name:
6-(4-chloro-3,5-dimethylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C15H17O7ClSmiles:
Cc1cc(OC2OC(C(=O)O)C(O)C(O)C2O)cc(C)c1ClAglycone:
Cc1cc(O)cc(C)c1ClSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.74 | Num_heavy_atoms: | 22 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD49228
Formula: C9H9OCl
Smiles:
Cc1cc(O)cc(C)c1Cl| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 0 |
| MolWt: | 156.61 | Num_heavy_atoms: | 10 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
