Glycoside
GD018706
Name:
NoneFormula:
C16H23O6N2Smiles:
CN1CCC[C@H]1c1ccc[n+]([C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
CN1CCCC1c1ccc[nH+]c1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 339.37 | Num_heavy_atoms: | 24 |
| TPSA: | 114.34 | NumAromaticRings: | 1 |
Unique Aglycone
AD13147
Formula: C10H15N2
Smiles:
CN1CCCC1c1ccc[nH+]c1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 163.24 | Num_heavy_atoms: | 12 |
| TPSA: | 17.38 | NumAromaticRings: | 1 |
