Glycoside
GD039431
Name:
5'-o-{[(1r)-1-hydroxydodecyl]sulfamoyl}adenosineFormula:
C22H38O7N6SSmiles:
CCCCCCCCCCC[C@@H](O)NS(=O)(=O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCCCCCCCCCCC(O)NS(=O)(=O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.77 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 16 |
| MolWt: | 530.65 | Num_heavy_atoms: | 36 |
| TPSA: | 194.94 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD24406
Formula: C13H29O4NS
Smiles:
CCCCCCCCCCCC(O)NS(=O)(=O)OC| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 13 |
| MolWt: | 295.45 | Num_heavy_atoms: | 19 |
| TPSA: | 75.63 | NumAromaticRings: | 0 |
