Glycoside
GD130186
Name:
2-[3,4-dihydroxy-5-({4-[(methylamino)methyl]-1H-1,2,3-triazol-1-yl}methyl)oxolan-2-yl]-N-[(4-fluorophenyl)methyl]acetamideFormula:
C18H24O4N5FSmiles:
CNCc1cn(CC2OC(CC(O)=NCc3ccc(F)cc3)C(O)C2O)nn1Aglycone:
CC(O)=NCc1ccc(F)cc1.CNCc1cn(C)nn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 8 |
| MolWt: | 393.42 | Num_heavy_atoms: | 28 |
| TPSA: | 125.02 | NumAromaticRings: | 2 |
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 |
AD45426
Formula: C9H10ONF
Smiles:
CC(O)=NCc1ccc(F)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 167.18 | Num_heavy_atoms: | 12 |
| TPSA: | 32.59 | NumAromaticRings: | 1 |
