Glycoside
GD019231
Name:
NoneFormula:
C14H17O6NSmiles:
[C-]#[N+][C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1ccccc1Aglycone:
[C-]#[N+]C(O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 295.29 | Num_heavy_atoms: | 21 |
| TPSA: | 103.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD13452
Formula: C8H7ON
Smiles:
[C-]#[N+]C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 133.15 | Num_heavy_atoms: | 10 |
| TPSA: | 24.59 | NumAromaticRings: | 1 |
