Glycoside
GD067483
Name:
NoneFormula:
C16H22O7N2Smiles:
C#CCN1CC[C@]2(CCCN2C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C1=OAglycone:
C#CCN1CCC2(CCCN2)C1=OSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -3.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 354.36 | Num_heavy_atoms: | 25 |
| TPSA: | 138.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD32168
Formula: C10H14ON2
Smiles:
C#CCN1CCC2(CCCN2)C1=O| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 178.23 | Num_heavy_atoms: | 13 |
| TPSA: | 32.34 | NumAromaticRings: | 0 |
