Glycoside
GD037998
Name:
5'-o-{[4-(2-carboxyphenyl)-4-oxobutanoyl]sulfamoyl}adenosineFormula:
C21H22O10N6SSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](COS(=O)(=O)NC(=O)CCC(=O)c2ccccc2C(=O)O)[C@@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)CCC(=O)c1ccccc1C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 10 |
| MolWt: | 550.51 | Num_heavy_atoms: | 38 |
| TPSA: | 246.15 | NumAromaticRings: | 3 |
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 |
AD23821
Formula: C12H13O7NS
Smiles:
COS(=O)(=O)NC(=O)CCC(=O)c1ccccc1C(=O)O| HBA: | 8 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 315.3 | Num_heavy_atoms: | 21 |
| TPSA: | 126.84 | NumAromaticRings: | 1 |
