Glycoside
GD056119
Name:
NoneFormula:
C13H20O8N2Smiles:
CN1CC2(CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C2)OCC1=OAglycone:
CN1CC2(CNC2)OCC1=OSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | -4.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 332.31 | Num_heavy_atoms: | 23 |
| TPSA: | 147.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD28209
Formula: C7H12O2N2
Smiles:
CN1CC2(CNC2)OCC1=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 156.18 | Num_heavy_atoms: | 11 |
| TPSA: | 41.57 | NumAromaticRings: | 0 |
