Glycoside
GD040118
Name:
s-adenosylmethionine methyl esterFormula:
C16H26O5N6SSmiles:
COC(=O)[C@@H](N)CC[S@@H](C)C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
COC(=O)C(N)CC[SH](C)C.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 7 |
| MolWt: | 414.49 | Num_heavy_atoms: | 28 |
| TPSA: | 171.63 | 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 |
AD24669
Formula: C7H17O2NS
Smiles:
COC(=O)C(N)CC[SH](C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 179.29 | Num_heavy_atoms: | 11 |
| TPSA: | 52.32 | NumAromaticRings: | 0 |
