Glycoside
GD044474
Name:
NoneFormula:
C12H21O6N2Smiles:
C[NH+]1CC2(CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C2)C1Aglycone:
C[NH+]1CC2(CNC2)C1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | -5.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 289.31 | Num_heavy_atoms: | 20 |
| TPSA: | 122.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD25032
Formula: C6H13N2
Smiles:
C[NH+]1CC2(CNC2)C1| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.9 | Num_rotatable_bonds: | 0 |
| MolWt: | 113.18 | Num_heavy_atoms: | 8 |
| TPSA: | 16.47 | NumAromaticRings: | 0 |
