Glycoside
GD062044
Name:
2-(2,4-dichlorophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C14H14O6Cl2Smiles:
OC[C@@H]1O[C@@H](Oc2ccc(Cl)cc2Cl)[C@H](O)[C@H](O)[C@@H]1OAglycone:
Oc1ccc(Cl)cc1ClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 325.14 | Num_heavy_atoms: | 20 |
| TPSA: | 99.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD30273
Formula: C8H4OCl2
Smiles:
Oc1ccc(Cl)cc1Cl| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 0 |
| MolWt: | 163.0 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
