Glycoside
GD058700
Name:
NoneFormula:
C16H18O5N4Smiles:
N#CCc1ccc(-c2cn(C[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)nn2)cc1Aglycone:
Cn1cc(-c2ccc(CC#N)cc2)nn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 346.34 | Num_heavy_atoms: | 25 |
| TPSA: | 144.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD29317
Formula: C11H10N4
Smiles:
Cn1cc(-c2ccc(CC#N)cc2)nn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 198.23 | Num_heavy_atoms: | 15 |
| TPSA: | 54.5 | NumAromaticRings: | 2 |
