Glycoside
GD144864
Name:
{[5-(2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}sulfonic acidFormula:
C10H12O9N4SSmiles:
O=S(=O)(O)OCC1OC(n2cnc3c(O)nc(O)nc32)C(O)C1OAglycone:
COS(=O)(=O)O.Oc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 364.29 | Num_heavy_atoms: | 24 |
| TPSA: | 197.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD00053
Formula: CH4O4S
Smiles:
COS(=O)(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.11 | Num_heavy_atoms: | 6 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD12557
Formula: C5H3O2N4
Smiles:
Oc1nc(O)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 151.11 | Num_heavy_atoms: | 11 |
| TPSA: | 92.7 | NumAromaticRings: | 1 |
