Glycoside
GD039130
Name:
5'-o-(n-(l-aspartyl)-sulfamoyl)uridineFormula:
C13H18O11N4SSmiles:
N[C@@H](CC(=O)O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)C(N)CC(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -4.66 | Num_rotatable_bonds: | 8 |
| MolWt: | 438.37 | Num_heavy_atoms: | 29 |
| TPSA: | 240.34 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | 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 |
