Glycoside
GD044736
Name:
NoneFormula:
C13H18O4N2Smiles:
N#C[C@@H](NCc1ccccc1)[C@@H](O)[C@H](O)[C@H](O)COAglycone:
N#CCNCc1ccccc1Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 266.3 | Num_heavy_atoms: | 19 |
| TPSA: | 116.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD25079
Formula: C9H10N2
Smiles:
N#CCNCc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 146.19 | Num_heavy_atoms: | 11 |
| TPSA: | 35.82 | NumAromaticRings: | 1 |
