Glycoside
GD039133
Name:
5'-o-(n-(l-aspartyl)-sulfamoyl)cytidineFormula:
C13H19O10N5SSmiles:
Nc1ccn([C@H]2O[C@H](COS(=O)(=O)NC(=O)[C@@H](N)CC(=O)O)[C@H](O)[C@@H]2O)c(=O)n1Aglycone:
COS(=O)(=O)NC(=O)C(N)CC(=O)O.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | -4.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 437.39 | Num_heavy_atoms: | 29 |
| TPSA: | 246.39 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD12774
Formula: C5H10O6N2S
Smiles:
COS(=O)(=O)NC(=O)C(N)CC(=O)O| HBA: | 8 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -2.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 226.21 | Num_heavy_atoms: | 14 |
| TPSA: | 135.79 | NumAromaticRings: | 0 |
