Glycoside
GD070888
Name:
5-cyano-3-(4-methylbenzoyloxy)oxolan-2-yl 4-methylbenzoateFormula:
C21H19O5NSmiles:
Cc1ccc(C(=O)O[C@H]2C[C@H](C#N)O[C@@H]2OC(=O)c2ccc(C)cc2)cc1Aglycone:
Cc1ccc(C(=O)O)cc1.Cc1ccc(C(=O)O)cc1Sugarmoiety:
N#CC1CC(O)C(O)O1Other Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 365.39 | Num_heavy_atoms: | 27 |
| TPSA: | 85.62 | NumAromaticRings: | 2 |
Unique Aglycone
AD00492
Formula: C8H8O2
Smiles:
Cc1ccc(C(=O)O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
