Glycoside
GD050764
Name:
NoneFormula:
C13H15O5N5Smiles:
Cc1nc(C#N)c(C#N)nc1N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
Cc1nc(C#N)c(C#N)nc1NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -2.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 321.29 | Num_heavy_atoms: | 23 |
| TPSA: | 175.54 | NumAromaticRings: | 1 |
Unique Aglycone
AD26727
Formula: C7H5N5
Smiles:
Cc1nc(C#N)c(C#N)nc1N| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 0 |
| MolWt: | 159.15 | Num_heavy_atoms: | 12 |
| TPSA: | 99.38 | NumAromaticRings: | 1 |
