Glycoside
GD058471
Name:
NoneFormula:
C14H13O5N4ClSmiles:
N#Cc1cc(C#N)c(N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)nc1ClAglycone:
N#Cc1cc(C#N)c(Cl)nc1NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 340.72 | Num_heavy_atoms: | 23 |
| TPSA: | 162.65 | NumAromaticRings: | 1 |
Unique Aglycone
AD29228
Formula: C8H3N4Cl
Smiles:
N#Cc1cc(C#N)c(Cl)nc1N| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 0 |
| MolWt: | 178.58 | Num_heavy_atoms: | 12 |
| TPSA: | 86.49 | NumAromaticRings: | 1 |
