Glycoside
GD045205
Name:
NoneFormula:
C12H14O7N2Smiles:
N#Cc1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)o1Aglycone:
N#Cc1ccc(C(N)=O)o1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 298.25 | Num_heavy_atoms: | 21 |
| TPSA: | 156.18 | NumAromaticRings: | 1 |
Unique Aglycone
AD25237
Formula: C6H4O2N2
Smiles:
N#Cc1ccc(C(N)=O)o1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.11 | Num_heavy_atoms: | 10 |
| TPSA: | 80.02 | NumAromaticRings: | 1 |
