Glycoside
GD120461
Name:
Triclosan GlucuronideFormula:
C21H15O8Cl3Smiles:
O=C(O)C1OC(Oc2cc(Cl)ccc2Oc2ccc(Cl)cc2Cl)C(O)C(O)C1OAglycone:
Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1ClSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 465.67 | Num_heavy_atoms: | 29 |
| TPSA: | 125.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD18250
Formula: C15H7O2Cl3
Smiles:
Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 5.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 289.54 | Num_heavy_atoms: | 17 |
| TPSA: | 29.46 | NumAromaticRings: | 2 |
