Glycoside
GD157048
Name:
[3,4-bis(acetyloxy)-5-(5-amino-4-carbamoyl-1H-imidazol-1-yl)oxolan-2-yl]methyl acetateFormula:
C15H20O8N4Smiles:
CC(=O)OCC1OC(n2cnc(C(=N)O)c2N)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.N=C(O)C1=C(N)[N]C=N1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 384.35 | Num_heavy_atoms: | 27 |
| TPSA: | 176.05 | 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 |
AD55349
Formula: C4H5ON4
Smiles:
N=C(O)C1=C(N)[N]C=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.11 | Num_heavy_atoms: | 9 |
| TPSA: | 96.56 | NumAromaticRings: | 0 |
