Glycoside
GD067619
Name:
NoneFormula:
C16H23O5N4Smiles:
C[N+](C)=CNc1ccc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1C#NAglycone:
C[N+](C)=CNc1ccc(N)cc1C#NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 351.38 | Num_heavy_atoms: | 25 |
| TPSA: | 141.01 | NumAromaticRings: | 1 |
Unique Aglycone
AD32211
Formula: C10H13N4
Smiles:
C[N+](C)=CNc1ccc(N)cc1C#N| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 189.24 | Num_heavy_atoms: | 14 |
| TPSA: | 64.85 | NumAromaticRings: | 1 |
