Glycoside
GD092662
Name:
2-{5-[(4-{[benzyl(methyl)amino]methyl}-1H-1,2,3-triazol-1-yl)methyl]-3,4-dihydroxyoxolan-2-yl}-1-(pyrrolidin-1-yl)ethan-1-oneFormula:
C22H31O4N5Smiles:
CN(Cc1ccccc1)Cc1cn(C[C@H]2O[C@@H](CC(=O)N3CCCC3)[C@H](O)[C@@H]2O)nn1Aglycone:
CC(=O)N1CCCC1.CN(Cc1ccccc1)Cc1cn(C)nn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.59 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 8 |
| MolWt: | 429.52 | Num_heavy_atoms: | 31 |
| TPSA: | 103.95 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD38153
Formula: C12H16N4
Smiles:
CN(Cc1ccccc1)Cc1cn(C)nn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 216.29 | Num_heavy_atoms: | 16 |
| TPSA: | 33.95 | NumAromaticRings: | 2 |
