Glycoside
GD069898
Name:
NoneFormula:
C18H25O6NClSmiles:
COc1ccc(Cl)c2c1C[C@@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC2Aglycone:
COc1ccc(Cl)c2c1CC([NH3+])CC2Sugarmoiety:
O=CC([OH2+])C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 8 |
| MolWt: | 374.84 | Num_heavy_atoms: | 25 |
| TPSA: | 123.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD33065
Formula: C12H15ONCl
Smiles:
COc1ccc(Cl)c2c1CC([NH3+])CC2| HBA: | 2 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 1 |
| MolWt: | 212.7 | Num_heavy_atoms: | 14 |
| TPSA: | 36.87 | NumAromaticRings: | 1 |
