Glycoside
GD018579
Name:
ADEMETIONINEFormula:
C15H22O5N6SSmiles:
C[S+](CC[C@H](N)C(=O)[O-])C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
C[S+](C)CCC(N)C(=O)[O-].Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -3.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 398.45 | Num_heavy_atoms: | 27 |
| TPSA: | 185.46 | 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 |
AD13083
Formula: C6H13O2NS
Smiles:
C[S+](C)CCC(N)C(=O)[O-]| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 163.24 | Num_heavy_atoms: | 10 |
| TPSA: | 66.15 | NumAromaticRings: | 0 |
