Glycoside
GD058590
Name:
NoneFormula:
C13H18O6N4Smiles:
COc1nc(C)nc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1C#NAglycone:
COc1nc(C)nc(N)c1C#NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -2.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 326.31 | Num_heavy_atoms: | 23 |
| TPSA: | 160.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD29267
Formula: C7H8ON4
Smiles:
COc1nc(C)nc(N)c1C#N| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 164.17 | Num_heavy_atoms: | 12 |
| TPSA: | 84.82 | NumAromaticRings: | 1 |
