Glycoside
GD031398
Name:
NoneFormula:
C15H18O6NClSmiles:
O=C(C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)Nc1ccc(Cl)cc1Aglycone:
CC(=O)Nc1ccc(Cl)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 331.75 | Num_heavy_atoms: | 22 |
| TPSA: | 119.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD20234
Formula: C9H8ONCl
Smiles:
CC(=O)Nc1ccc(Cl)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 169.61 | Num_heavy_atoms: | 11 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
