Glycoside
GD037712
Name:
5'-o-(l-alpha-glutamylsulfamoyl)inosineFormula:
C15H20O10N6SSmiles:
N[C@@H](CCC(=O)O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H](n2cnc3c(=O)[nH]cnc32)[C@@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)C(N)CCC(=O)O.O=c1[nH]cnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -3.69 | Num_rotatable_bonds: | 9 |
| MolWt: | 476.42 | Num_heavy_atoms: | 32 |
| TPSA: | 249.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD01144
Formula: C5H3ON4
Smiles:
O=c1[nH]cnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 72.21 | NumAromaticRings: | 1 |
AD02893
Formula: C6H12O6N2S
Smiles:
COS(=O)(=O)NC(=O)C(N)CCC(=O)O| HBA: | 8 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -1.81 | Num_rotatable_bonds: | 6 |
| MolWt: | 240.24 | Num_heavy_atoms: | 15 |
| TPSA: | 135.79 | NumAromaticRings: | 0 |
