Glycoside
GD029004
Name:
NoneFormula:
C14H17O5NSmiles:
N#Cc1ccc(C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
Cc1ccc(C#N)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 279.29 | Num_heavy_atoms: | 20 |
| TPSA: | 113.94 | NumAromaticRings: | 1 |
Unique Aglycone
AD01849
Formula: C8H7N
Smiles:
Cc1ccc(C#N)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 117.15 | Num_heavy_atoms: | 9 |
| TPSA: | 23.79 | NumAromaticRings: | 1 |
