Glycoside
GD032590
Name:
S-Adenosyl-3-ThiopropylamineFormula:
C13H20O3N6SSmiles:
NCCCSC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CSCCCN.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 6 |
| MolWt: | 340.41 | Num_heavy_atoms: | 23 |
| 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 |
AD07909
Formula: C4H11NS
Smiles:
CSCCCN| HBA: | 1 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 105.21 | Num_heavy_atoms: | 6 |
| TPSA: | 26.02 | NumAromaticRings: | 0 |
