Glycoside
GD061860
Name:
NoneFormula:
C15H18O5N3ClSmiles:
Cc1nc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(C#N)c(C)c1ClAglycone:
Cc1nc(N)c(C#N)c(C)c1ClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 343.77 | Num_heavy_atoms: | 23 |
| TPSA: | 138.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD30245
Formula: C9H8N3Cl
Smiles:
Cc1nc(N)c(C#N)c(C)c1Cl| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 0 |
| MolWt: | 181.63 | Num_heavy_atoms: | 12 |
| TPSA: | 62.7 | NumAromaticRings: | 1 |
