Glycoside
GD070509
Name:
NoneFormula:
C17H22O5NCl2Smiles:
C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
CC([NH3+])Cc1ccc(Cl)cc1ClSugarmoiety:
OCC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 367.25 | Num_heavy_atoms: | 23 |
| TPSA: | 106.76 | 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 |
