Glycoside
GD044957
Name:
NoneFormula:
C11H16O7N2Smiles:
N#C[C@@H]1COCCN1C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
N#CC1COCCN1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | -3.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 288.26 | Num_heavy_atoms: | 20 |
| TPSA: | 151.32 | NumAromaticRings: | 0 |
Unique Aglycone
AD25146
Formula: C5H8ON2
Smiles:
N#CC1COCCN1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.13 | Num_heavy_atoms: | 8 |
| TPSA: | 45.05 | NumAromaticRings: | 0 |
