Glycoside
GD079574
Name:
NoneFormula:
C19H28O7N2ClSmiles:
COCC[N@H+](C)[C@H](CNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c1ccc(Cl)cc1Aglycone:
COCC[NH+](C)C(CN)c1ccc(Cl)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -2.7 | Num_rotatable_bonds: | 12 |
| MolWt: | 419.88 | Num_heavy_atoms: | 28 |
| TPSA: | 140.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD36369
Formula: C13H20ON2Cl
Smiles:
COCC[NH+](C)C(CN)c1ccc(Cl)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 243.76 | Num_heavy_atoms: | 16 |
| TPSA: | 39.69 | NumAromaticRings: | 1 |
