Glycoside
GD040316
Name:
methyl 2-deoxy-2-(4-(pyridine-3-yl))-1,2,3-triazol-1-yl)-alpha-d-mannopyranosideFormula:
C14H18O5N4Smiles:
CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1n1cc(-c2cccnc2)nn1Aglycone:
C1=C(c2cccnc2)N=N[N]1Sugarmoiety:
COC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 322.32 | Num_heavy_atoms: | 23 |
| TPSA: | 122.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD04563
Formula: C7H5N4
Smiles:
C1=C(c2cccnc2)N=N[N]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 1 |
| MolWt: | 145.15 | Num_heavy_atoms: | 11 |
| TPSA: | 51.71 | NumAromaticRings: | 1 |
