Glycoside
GD050623
Name:
NoneFormula:
C12H22O7N2Smiles:
O=C[C@H](N[C@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H](O)[C@H](O)[C@H](O)COAglycone:
NC1CCC(C[N+](=O)[O-])C1Sugarmoiety:
O=CC(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | -2.34 | Num_rotatable_bonds: | 9 |
| MolWt: | 306.32 | Num_heavy_atoms: | 21 |
| TPSA: | 153.16 | NumAromaticRings: | 0 |
Unique Aglycone
AD26664
Formula: C6H12O2N2
Smiles:
NC1CCC(C[N+](=O)[O-])C1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 144.17 | Num_heavy_atoms: | 10 |
| TPSA: | 69.16 | NumAromaticRings: | 0 |
