Glycoside
GD070621
Name:
NoneFormula:
C17H22O5NCl2Smiles:
C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)COAglycone:
CC([NH3+])Cc1ccc(Cl)cc1ClSugarmoiety:
O=CC([OH2+])C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 6 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 9 |
| MolWt: | 367.25 | Num_heavy_atoms: | 23 |
| TPSA: | 114.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD33426
Formula: C11H12NCl2
Smiles:
CC([NH3+])Cc1ccc(Cl)cc1Cl| HBA: | 1 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 205.11 | Num_heavy_atoms: | 12 |
| TPSA: | 27.64 | NumAromaticRings: | 1 |
