Glycoside
GD139950
Name:
3'-O-(Alpha-D-Glucosyl)InosineFormula:
C16H22O10N4Smiles:
OCC1OC(OC2C(CO)OC(n3cnc4c(O)ncnc43)C2O)C(O)C(O)C1OAglycone:
Oc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.69 |
| AlogP: | -4.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 430.37 | Num_heavy_atoms: | 30 |
| TPSA: | 212.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD00956
Formula: C5H3ON4
Smiles:
Oc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 72.47 | NumAromaticRings: | 1 |
