Glycoside
GD050917
Name:
NoneFormula:
C13H20O5N4Smiles:
N#CCCCCc1cn(C[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)nn1Aglycone:
Cn1cc(CCCCC#N)nn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | -1.69 | Num_rotatable_bonds: | 6 |
| MolWt: | 312.33 | Num_heavy_atoms: | 22 |
| TPSA: | 144.65 | NumAromaticRings: | 1 |
Unique Aglycone
AD26770
Formula: C8H12N4
Smiles:
Cn1cc(CCCCC#N)nn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.62 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 164.21 | Num_heavy_atoms: | 12 |
| TPSA: | 54.5 | NumAromaticRings: | 1 |
