Glycoside
GD052302
Name:
NoneFormula:
C14H16O6NClSmiles:
C[C@@H]1O[C@H](Nc2cc(Cl)ccc2C(=O)O)[C@H](O)[C@H](O)[C@@H]1OAglycone:
Nc1cc(Cl)ccc1C(=O)OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 317.72 | Num_heavy_atoms: | 21 |
| TPSA: | 119.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD27140
Formula: C8H6O2NCl
Smiles:
Nc1cc(Cl)ccc1C(=O)O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 171.58 | Num_heavy_atoms: | 11 |
| TPSA: | 63.32 | NumAromaticRings: | 1 |
