Glycoside
GD039609
Name:
3'-o-(n-formyl-l-methionyl)adenosine 5'-(dihydrogen phosphate)Formula:
C16H23O9N6PSSmiles:
CSCC[C@@H](NC=O)C(=O)O[C@H]1[C@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COP(=O)(O)OAglycone:
COP(=O)(O)O.CSCCC(NC=O)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 11 |
| MolWt: | 506.43 | Num_heavy_atoms: | 33 |
| TPSA: | 221.24 | 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 |
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD24472
Formula: C6H11O3NS
Smiles:
CSCCC(NC=O)C(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 177.22 | Num_heavy_atoms: | 11 |
| TPSA: | 66.4 | NumAromaticRings: | 0 |
