Glycoside
GD038428
Name:
5'-s-[(3r)-3,4-dihydroxybutyl]-5'-thioadenosineFormula:
C14H21O5N5SSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](CSCC[C@@H](O)CO)[C@H](O)[C@@H]1OAglycone:
CSCCC(O)CO.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | -1.5 | Num_rotatable_bonds: | 7 |
| MolWt: | 371.42 | Num_heavy_atoms: | 25 |
| TPSA: | 159.77 | 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 |
AD24017
Formula: C5H12O2S
Smiles:
CSCCC(O)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 136.22 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
