Glycoside
GD104338
Name:
2-{5-[(4-{[benzyl(methyl)amino]methyl}-1H-1,2,3-triazol-1-yl)methyl]-3,4-dihydroxyoxolan-2-yl}-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-oneFormula:
C26H31O4N5Smiles:
CN(Cc1ccccc1)Cc1cn(C[C@H]2O[C@@H](CC(=O)N3CCc4ccccc43)[C@H](O)[C@@H]2O)nn1Aglycone:
CC(=O)N1CCc2ccccc21.CN(Cc1ccccc1)Cc1cn(C)nn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 477.57 | Num_heavy_atoms: | 35 |
| TPSA: | 103.95 | NumAromaticRings: | 3 |
Unique Aglycone
AD21383
Formula: C10H11ON
Smiles:
CC(=O)N1CCc2ccccc21| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 0 |
| MolWt: | 161.2 | Num_heavy_atoms: | 12 |
| TPSA: | 20.31 | NumAromaticRings: | 1 |
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 |
