Glycoside
GD130262
Name:
2-{5-[(4-{[benzyl(methyl)amino]methyl}-1H-1,2,3-triazol-1-yl)methyl]-3,4-dihydroxyoxolan-2-yl}-N-(2-methoxyethyl)acetamideFormula:
C21H31O5N5Smiles:
COCCN=C(O)CC1OC(Cn2cc(CN(C)Cc3ccccc3)nn2)C(O)C1OAglycone:
CN(Cc1ccccc1)Cc1cn(C)nn1.COCCN=C(C)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 11 |
| MolWt: | 433.51 | Num_heavy_atoms: | 31 |
| TPSA: | 125.46 | NumAromaticRings: | 2 |
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 |
AD46272
Formula: C5H11O2N
Smiles:
COCCN=C(C)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 117.15 | Num_heavy_atoms: | 8 |
| TPSA: | 41.82 | NumAromaticRings: | 0 |
