Glycoside
GD045451
Name:
2-(hydroxymethyl)-6-[(4-methylphenyl)amino]oxane-3,4,5-triolFormula:
C13H19O5NSmiles:
Cc1ccc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
Cc1ccc(N)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 269.3 | Num_heavy_atoms: | 19 |
| TPSA: | 102.18 | NumAromaticRings: | 1 |
Unique Aglycone
AD10535
Formula: C7H9N
Smiles:
Cc1ccc(N)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 0 |
| MolWt: | 107.16 | Num_heavy_atoms: | 8 |
| TPSA: | 26.02 | NumAromaticRings: | 1 |
