Glycoside
GD039135
Name:
5'-o-(n-(l-aspartyl)-sulfamoyl)n3-methyluridineFormula:
C14H20O11N4SSmiles:
Cn1c(=O)ccn([C@H]2O[C@H](COS(=O)(=O)NC(=O)[C@@H](N)CC(=O)O)[C@H](O)[C@@H]2O)c1=OAglycone:
COS(=O)(=O)NC(=O)C(N)CC(=O)O.Cn1c(=O)cc[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -4.65 | Num_rotatable_bonds: | 8 |
| MolWt: | 452.4 | Num_heavy_atoms: | 30 |
| TPSA: | 229.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD03792
Formula: C5H6O2N2
Smiles:
Cn1c(=O)cc[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 54.86 | 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 |
