Glycoside
GD039092
Name:
3-(pyridin-3-yl)prop-2-yn-1-yl alpha-d-mannopyranosideFormula:
C14H17O6NSmiles:
OC[C@H]1O[C@H](OCC#Cc2cccnc2)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
OCC#Cc1cccnc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 295.29 | Num_heavy_atoms: | 21 |
| TPSA: | 112.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD24277
Formula: C8H7ON
Smiles:
OCC#Cc1cccnc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 0 |
| MolWt: | 133.15 | Num_heavy_atoms: | 10 |
| TPSA: | 33.12 | NumAromaticRings: | 1 |
