Glycoside
GD031930
Name:
S-Adenosyl-L-CysteineFormula:
C13H18O5N6SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSC[C@H](N)C(=O)O)[C@H](O)[C@H]1OAglycone:
CSCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -1.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 370.39 | Num_heavy_atoms: | 25 |
| TPSA: | 182.63 | 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 |
AD11337
Formula: C4H9O2NS
Smiles:
CSCC(N)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 135.19 | Num_heavy_atoms: | 8 |
| TPSA: | 63.32 | NumAromaticRings: | 0 |
