Glycoside
GD039011
Name:
adenosine-5'-[phenylalaninyl-phosphate]Formula:
C19H23O8N6PSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@@](=O)(O)OC(=O)[C@H](N)Cc2ccccc2)[C@@H](O)[C@H]1OAglycone:
COP(=O)(O)OC(=O)C(N)Cc1ccccc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.37 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 8 |
| MolWt: | 494.4 | Num_heavy_atoms: | 34 |
| TPSA: | 218.16 | NumAromaticRings: | 3 |
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 |
AD24232
Formula: C10H14O5NP
Smiles:
COP(=O)(O)OC(=O)C(N)Cc1ccccc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 259.2 | Num_heavy_atoms: | 17 |
| TPSA: | 98.85 | NumAromaticRings: | 1 |
