Glycoside
GD038034
Name:
8-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)adenosineFormula:
C20H24O5N6SSmiles:
Nc1ncnc2c1nc(SCC(=O)NCCc1ccccc1)n2[C@H]1O[C@H](CO)[C@H](O)[C@@H]1OAglycone:
Nc1ncnc2c1N=C(SCC(=O)NCCc1ccccc1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 8 |
| MolWt: | 460.52 | Num_heavy_atoms: | 32 |
| TPSA: | 168.64 | NumAromaticRings: | 3 |
Unique Aglycone
AD09319
Formula: C15H15ON6S
Smiles:
Nc1ncnc2c1N=C(SCC(=O)NCCc1ccccc1)[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 327.39 | Num_heavy_atoms: | 23 |
| TPSA: | 107.36 | NumAromaticRings: | 2 |
