Glycoside
GD058687
Name:
NoneFormula:
C14H15O5N5Smiles:
N#Cc1ccc(-c2cn(C[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)nn2)cn1Aglycone:
Cn1cc(-c2ccc(C#N)nc2)nn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 333.3 | Num_heavy_atoms: | 24 |
| TPSA: | 157.54 | NumAromaticRings: | 2 |
Unique Aglycone
AD29312
Formula: C9H7N5
Smiles:
Cn1cc(-c2ccc(C#N)nc2)nn1| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 185.19 | Num_heavy_atoms: | 14 |
| TPSA: | 67.39 | NumAromaticRings: | 2 |
