Glycoside
GD037920
Name:
2'-c-methyl-5'-o-({5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)adenosineFormula:
C21H30O8N8S2Smiles:
C[C@]1(O)[C@@H](O)[C@@H](COS(=O)(=O)NC(=O)CCCC[C@H]2SC[C@@H]3NC(=O)N[C@@H]32)O[C@H]1n1cnc2c(N)ncnc21Aglycone:
COS(=O)(=O)NC(=O)CCCCC1SCC2NC(=O)NC21.Nc1ncnc2c1N=C[N]2Sugarmoiety:
CC1(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 10 |
| MolWt: | 586.65 | Num_heavy_atoms: | 39 |
| TPSA: | 232.91 | NumAromaticRings: | 2 |
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 |
AD08464
Formula: C11H19O5N3S2
Smiles:
COS(=O)(=O)NC(=O)CCCCC1SCC2NC(=O)NC21| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 337.42 | Num_heavy_atoms: | 21 |
| TPSA: | 113.6 | NumAromaticRings: | 0 |
