Glycoside
GD038118
Name:
5'-o-[(s)-{[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}(hydroxy)phosphoryl]adenosineFormula:
C19H23O9N6PSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)(O)OC(=O)[C@H](N)Cc2ccc(O)cc2)[C@@H](O)[C@H]1OAglycone:
COP(=O)(O)OC(=O)C(N)Cc1ccc(O)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.37 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 8 |
| MolWt: | 510.4 | Num_heavy_atoms: | 35 |
| TPSA: | 238.39 | 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 |
AD23862
Formula: C10H14O6NP
Smiles:
COP(=O)(O)OC(=O)C(N)Cc1ccc(O)cc1| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 275.2 | Num_heavy_atoms: | 18 |
| TPSA: | 119.08 | NumAromaticRings: | 1 |
