Glycoside
GD141788
Name:
2-{5-[(4-{[benzyl(methyl)amino]methyl}-1H-1,2,3-triazol-1-yl)methyl]-3,4-dihydroxyoxolan-2-yl}-N-(propan-2-yl)acetamideFormula:
C21H31O4N5Smiles:
CC(C)N=C(O)CC1OC(Cn2cc(CN(C)Cc3ccccc3)nn2)C(O)C1OAglycone:
CC(O)=NC(C)C.CN(Cc1ccccc1)Cc1cn(C)nn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 417.51 | Num_heavy_atoms: | 30 |
| TPSA: | 116.23 | 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 |
AD45654
Formula: C5H11ON
Smiles:
CC(O)=NC(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 1 |
| MolWt: | 101.15 | Num_heavy_atoms: | 7 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
