Glycoside
GD058662
Name:
NoneFormula:
C16H19O7NSmiles:
COc1ccc(C#CC(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1Aglycone:
COc1ccc(C#CC(N)=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -2.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 337.33 | Num_heavy_atoms: | 24 |
| TPSA: | 128.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD29301
Formula: C10H9O2N
Smiles:
COc1ccc(C#CC(N)=O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 175.19 | Num_heavy_atoms: | 13 |
| TPSA: | 52.32 | NumAromaticRings: | 1 |
