Glycoside
GD058478
Name:
NoneFormula:
C14H17O5N5Smiles:
CCc1nc(C#N)c(C#N)nc1N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
CCc1nc(C#N)c(C#N)nc1NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -2.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 335.32 | Num_heavy_atoms: | 24 |
| TPSA: | 175.54 | NumAromaticRings: | 1 |
Unique Aglycone
AD29231
Formula: C8H7N5
Smiles:
CCc1nc(C#N)c(C#N)nc1N| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 173.18 | Num_heavy_atoms: | 13 |
| TPSA: | 99.38 | NumAromaticRings: | 1 |
