Glycoside
GD038562
Name:
5'-s-[2-(decylamino)ethyl]-5'-thioadenosineFormula:
C22H38O3N6SSmiles:
CCCCCCCCCCNCCSC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCCCCCCCCCNCCSC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.77 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 15 |
| MolWt: | 466.65 | Num_heavy_atoms: | 32 |
| TPSA: | 131.34 | 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 |
AD24057
Formula: C13H29NS
Smiles:
CCCCCCCCCCNCCSC| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 12 |
| MolWt: | 231.45 | Num_heavy_atoms: | 15 |
| TPSA: | 12.03 | NumAromaticRings: | 0 |
