Glycoside
GD045095
Name:
NoneFormula:
C12H20O5N2Smiles:
N#C[C@H]1CC[C@@H](N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C1Aglycone:
N#CC1CCC(N)C1Sugarmoiety:
O=CC(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | -2.09 | Num_rotatable_bonds: | 7 |
| MolWt: | 272.3 | Num_heavy_atoms: | 19 |
| TPSA: | 133.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD25099
Formula: C6H10N2
Smiles:
N#CC1CCC(N)C1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.16 | Num_heavy_atoms: | 8 |
| TPSA: | 49.81 | NumAromaticRings: | 0 |
