Glycoside
GD069982
Name:
NoneFormula:
C16H20O5N3ClSmiles:
CCCc1cc(C#N)c(N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)nc1ClAglycone:
CCCc1cc(C#N)c(N)nc1ClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 5 |
| MolWt: | 357.79 | Num_heavy_atoms: | 24 |
| TPSA: | 138.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD33156
Formula: C10H10N3Cl
Smiles:
CCCc1cc(C#N)c(N)nc1Cl| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 195.65 | Num_heavy_atoms: | 13 |
| TPSA: | 62.7 | NumAromaticRings: | 1 |
