Glycoside
GD070510
Name:
NoneFormula:
C18H27O5NClSmiles:
C[C@@H]1O[C@@H](OCC[NH2+][C@H](C)Cc2cccc(Cl)c2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CC(Cc1cccc(Cl)c1)[NH2+]CCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 360.86 | Num_heavy_atoms: | 24 |
| TPSA: | 95.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD33427
Formula: C12H17ONCl
Smiles:
CC(Cc1cccc(Cl)c1)[NH2+]CCO| HBA: | 2 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 214.72 | Num_heavy_atoms: | 14 |
| TPSA: | 36.84 | NumAromaticRings: | 1 |
