Glycoside
GD039512
Name:
5'-o-[(4-cyano-2-hydroxybenzoyl)sulfamoyl]adenosineFormula:
C18H17O8N7SSmiles:
N#Cc1ccc(C(=O)NS(=O)(=O)OC[C@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c(O)c1Aglycone:
COS(=O)(=O)NC(=O)c1ccc(C#N)cc1O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.28 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 491.44 | Num_heavy_atoms: | 34 |
| TPSA: | 235.8 | 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 |
AD24430
Formula: C9H8O5N2S
Smiles:
COS(=O)(=O)NC(=O)c1ccc(C#N)cc1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 256.24 | Num_heavy_atoms: | 17 |
| TPSA: | 116.49 | NumAromaticRings: | 1 |
