Glycoside
GD156142
Name:
{5-[4-(acetylcarbamoyl)-5-amino-1H-imidazol-1-yl]-3,4-bis(acetyloxy)oxolan-2-yl}methyl acetateFormula:
C17H22O9N4Smiles:
CC(=O)OCC1OC(n2cnc(C(=O)N=C(C)O)c2N)C(OC(C)=O)C1OC(C)=OAglycone:
CC(O)=NC(=O)C1=C(N)[N]C=N1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 426.38 | Num_heavy_atoms: | 30 |
| TPSA: | 181.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD61862
Formula: C6H7O2N4
Smiles:
CC(O)=NC(=O)C1=C(N)[N]C=N1| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 167.15 | Num_heavy_atoms: | 12 |
| TPSA: | 102.14 | NumAromaticRings: | 0 |
