Glycoside
GD061858
Name:
NoneFormula:
C16H25O5N3Smiles:
C#CCCCCCCc1cn([C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)nn1Aglycone:
C#CCCCCCCC1=C[N]N=N1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 8 |
| MolWt: | 339.39 | Num_heavy_atoms: | 24 |
| TPSA: | 120.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD30243
Formula: C10H14N3
Smiles:
C#CCCCCCCC1=C[N]N=N1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.6 |
| AlogP: | 2.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 176.24 | Num_heavy_atoms: | 13 |
| TPSA: | 38.82 | NumAromaticRings: | 0 |
