Glycoside
GD061158
Name:
NoneFormula:
C15H22O5N3ClSmiles:
CCc1c(Cl)nnc(N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1CCAglycone:
CCc1c(N)nnc(Cl)c1CCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 347.8 | Num_heavy_atoms: | 23 |
| TPSA: | 127.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD30032
Formula: C9H12N3Cl
Smiles:
CCc1c(N)nnc(Cl)c1CC| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 185.66 | Num_heavy_atoms: | 12 |
| TPSA: | 51.8 | NumAromaticRings: | 1 |
