Glycoside
GD040105
Name:
5'-o-[(s)-[(8-bromooctanoyl)oxy](hydroxy)phosphoryl]adenosineFormula:
C18H27O8N5PBrSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)(O)OC(=O)CCCCCCCBr)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OC(=O)CCCCCCCBr.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 12 |
| MolWt: | 552.32 | Num_heavy_atoms: | 33 |
| TPSA: | 192.14 | 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 |
AD24664
Formula: C9H18O5PBr
Smiles:
COP(=O)(O)OC(=O)CCCCCCCBr| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 9 |
| MolWt: | 317.12 | Num_heavy_atoms: | 16 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
