Glycoside
GD038162
Name:
5'-o-[(r)-{[(3s)-3-aminobutanoyl]oxy}(hydroxy)phosphoryl]adenosineFormula:
C14H21O8N6PSmiles:
C[C@@H](N)CC(=O)OP(=O)(O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OC(=O)CC(C)N.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 7 |
| MolWt: | 432.33 | Num_heavy_atoms: | 29 |
| TPSA: | 218.16 | 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 |
AD23880
Formula: C5H12O5NP
Smiles:
COP(=O)(O)OC(=O)CC(C)N| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 197.13 | Num_heavy_atoms: | 12 |
| TPSA: | 98.85 | NumAromaticRings: | 0 |
