Glycoside
GD050780
Name:
NoneFormula:
C13H17O6N3Smiles:
COc1ccc(C#N)c(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)n1Aglycone:
COc1ccc(C#N)c(N)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -1.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 311.29 | Num_heavy_atoms: | 22 |
| TPSA: | 148.09 | NumAromaticRings: | 1 |
Unique Aglycone
AD26734
Formula: C7H7ON3
Smiles:
COc1ccc(C#N)c(N)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 149.15 | Num_heavy_atoms: | 11 |
| TPSA: | 71.93 | NumAromaticRings: | 1 |
