Glycoside
GD005035
Name:
S-AdenosylmethioninaminiumFormula:
C14H23O3N6SSmiles:
C[S+](CCCN)C[C@@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
C[S+](C)CCCN.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 355.44 | Num_heavy_atoms: | 24 |
| 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 |
AD04314
Formula: C5H14NS
Smiles:
C[S+](C)CCCN| HBA: | 1 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 120.24 | Num_heavy_atoms: | 7 |
| TPSA: | 26.02 | NumAromaticRings: | 0 |
