Glycoside
GD039605
Name:
5'-deoxy-5'-(dimethyl-lambda~4~-sulfanyl)adenosineFormula:
C12H19O3N5SSmiles:
C[SH](C)C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
Nc1ncnc2c1N=C[N]2Sugarmoiety:
C[SH](C)CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 313.38 | Num_heavy_atoms: | 21 |
| TPSA: | 119.31 | 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 |
