Glycoside
GD039759
Name:
5'-deoxy-5'-[2-(amino)ethylthio]adenosineFormula:
C12H18O3N6SSmiles:
NCCSC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1OAglycone:
CSCCN.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 326.38 | Num_heavy_atoms: | 22 |
| TPSA: | 145.33 | 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 |
AD02368
Formula: C3H9NS
Smiles:
CSCCN| HBA: | 1 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 91.18 | Num_heavy_atoms: | 5 |
| TPSA: | 26.02 | NumAromaticRings: | 0 |
