Glycoside
GD123373
Name:
2-Methoxyacetaminophen GlucuronideFormula:
C15H19O9NSmiles:
COc1cc(OC2OC(C(=O)O)C(O)C(O)C2O)ccc1N=C(C)OAglycone:
COc1cc(O)ccc1N=C(C)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 357.32 | Num_heavy_atoms: | 25 |
| TPSA: | 158.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD49779
Formula: C9H11O3N
Smiles:
COc1cc(O)ccc1N=C(C)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 181.19 | Num_heavy_atoms: | 13 |
| TPSA: | 62.05 | NumAromaticRings: | 1 |
