Glycoside
GD136340
Name:
2-{5-[(4-{[benzyl(methyl)amino]methyl}-1H-1,2,3-triazol-1-yl)methyl]-3,4-dihydroxyoxolan-2-yl}-N-phenylacetamideFormula:
C24H29O4N5Smiles:
CN(Cc1ccccc1)Cc1cn(CC2OC(CC(O)=Nc3ccccc3)C(O)C2O)nn1Aglycone:
CC(O)=Nc1ccccc1.CN(Cc1ccccc1)Cc1cn(C)nn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 9 |
| MolWt: | 451.53 | Num_heavy_atoms: | 33 |
| TPSA: | 116.23 | NumAromaticRings: | 3 |
Unique Aglycone
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 |
AD45684
Formula: C8H9ON
Smiles:
CC(O)=Nc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 32.59 | NumAromaticRings: | 1 |
