Glycoside
GD005182
Name:
NoneFormula:
C13H18O6NSmiles:
CCOC(=O)c1ccc[n+]([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c1Aglycone:
CCOC(=O)c1ccc[nH+]c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 284.29 | Num_heavy_atoms: | 20 |
| TPSA: | 100.1 | NumAromaticRings: | 1 |
Unique Aglycone
AD04427
Formula: C8H10O2N
Smiles:
CCOC(=O)c1ccc[nH+]c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 2 |
| MolWt: | 152.17 | Num_heavy_atoms: | 11 |
| TPSA: | 40.44 | NumAromaticRings: | 1 |
