Glycoside
GD039993
Name:
5'-{[(2-amino-3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}-5'-deoxyadenosineFormula:
C17H20O7N8SSmiles:
Nc1c(O)cccc1C(=O)NS(=O)(=O)NC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
CNS(=O)(=O)NC(=O)c1cccc(O)c1N.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.29 |
| AlogP: | -2.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 480.46 | Num_heavy_atoms: | 33 |
| TPSA: | 240.83 | 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 |
AD24628
Formula: C8H11O4N3S
Smiles:
CNS(=O)(=O)NC(=O)c1cccc(O)c1N| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.12 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 245.26 | Num_heavy_atoms: | 16 |
| TPSA: | 121.52 | NumAromaticRings: | 1 |
