Glycoside
GD051000
Name:
NoneFormula:
C15H17O6NSmiles:
C#Cc1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1Aglycone:
C#Cc1ccc(C(N)=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -1.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 307.3 | Num_heavy_atoms: | 22 |
| TPSA: | 119.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD26807
Formula: C9H7ON
Smiles:
C#Cc1ccc(C(N)=O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 145.16 | Num_heavy_atoms: | 11 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
