Glycoside
GD050987
Name:
NoneFormula:
C12H13O5N5Smiles:
N#Cc1ncc(N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)nc1C#NAglycone:
N#Cc1ncc(N)nc1C#NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -2.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 307.27 | Num_heavy_atoms: | 22 |
| TPSA: | 175.54 | NumAromaticRings: | 1 |
Unique Aglycone
AD26802
Formula: C6H3N5
Smiles:
N#Cc1ncc(N)nc1C#N| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 145.12 | Num_heavy_atoms: | 11 |
| TPSA: | 99.38 | NumAromaticRings: | 1 |
