Glycoside
GD070003
Name:
NoneFormula:
C17H19O6N2ClSmiles:
N#CCCN(Cc1ccc(Cl)cc1)C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
N#CCCNCc1ccc(Cl)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 9 |
| MolWt: | 370.79 | Num_heavy_atoms: | 25 |
| TPSA: | 142.09 | NumAromaticRings: | 1 |
Unique Aglycone
AD33163
Formula: C11H11N2Cl
Smiles:
N#CCCNCc1ccc(Cl)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 194.66 | Num_heavy_atoms: | 13 |
| TPSA: | 35.82 | NumAromaticRings: | 1 |
