Glycoside
GD061737
Name:
NoneFormula:
C17H23O5NClSmiles:
O=C[C@H]([NH2+][C@@H]1CCc2c(Cl)cccc2C1)[C@@H](O)[C@H](O)[C@H](O)COAglycone:
[NH3+]C1CCc2c(Cl)cccc2C1Sugarmoiety:
O=CC([OH2+])C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -1.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 344.82 | Num_heavy_atoms: | 23 |
| TPSA: | 114.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD30145
Formula: C11H13NCl
Smiles:
[NH3+]C1CCc2c(Cl)cccc2C1| HBA: | 1 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 0 |
| MolWt: | 182.67 | Num_heavy_atoms: | 12 |
| TPSA: | 27.64 | NumAromaticRings: | 1 |
