Glycoside
GD050772
Name:
NoneFormula:
C14H15O5N3Smiles:
N#Cc1cc(C#N)cc(N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1Aglycone:
N#Cc1cc(N)cc(C#N)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 3 |
| MolWt: | 305.29 | Num_heavy_atoms: | 22 |
| TPSA: | 149.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD26731
Formula: C8H5N3
Smiles:
N#Cc1cc(N)cc(C#N)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 0 |
| MolWt: | 143.15 | Num_heavy_atoms: | 11 |
| TPSA: | 73.6 | NumAromaticRings: | 1 |
