Glycoside
GD052919
Name:
2-[3,4-dihydroxy-5-({4-[(methylamino)methyl]-1H-1,2,3-triazol-1-yl}methyl)oxolan-2-yl]-1-(pyrrolidin-1-yl)ethan-1-oneFormula:
C15H25O4N5Smiles:
CNCc1cn(C[C@H]2O[C@@H](CC(=O)N3CCCC3)[C@H](O)[C@@H]2O)nn1Aglycone:
CC(=O)N1CCCC1.CNCc1cn(C)nn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | -1.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 339.4 | Num_heavy_atoms: | 24 |
| TPSA: | 112.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD13408
Formula: C5H10N4
Smiles:
CNCc1cn(C)nn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 126.16 | Num_heavy_atoms: | 9 |
| TPSA: | 42.74 | NumAromaticRings: | 1 |
AD26841
Formula: C6H11ON
Smiles:
CC(=O)N1CCCC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 113.16 | Num_heavy_atoms: | 8 |
| TPSA: | 20.31 | NumAromaticRings: | 0 |
