Glycoside
GD040029
Name:
2'-o-[(5'-phospho)ribosyl]adenosine-5'-monophosphateFormula:
C15H23O14N5P2Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]1O[C@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)O.COP(=O)(O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(OC2C(O)OC(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.67 |
| AlogP: | -3.28 | Num_rotatable_bonds: | 9 |
| MolWt: | 559.32 | Num_heavy_atoms: | 36 |
| TPSA: | 291.52 | 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 |
