Glycoside
GD039749
Name:
nicotinate mononucleotideFormula:
C11H14O9NPSmiles:
O=C(O)c1ccc[n+]([C@H]2O[C@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]2O)c1Aglycone:
COP(=O)([O-])O.O=C(O)c1ccc[nH+]c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | -2.23 | Num_rotatable_bonds: | 5 |
| MolWt: | 335.2 | Num_heavy_atoms: | 22 |
| TPSA: | 160.46 | NumAromaticRings: | 1 |
Unique Aglycone
AD00397
Formula: CH4O4P
Smiles:
COP(=O)([O-])O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.01 | Num_heavy_atoms: | 6 |
| TPSA: | 69.59 | NumAromaticRings: | 0 |
AD01127
Formula: C6H6O2N
Smiles:
O=C(O)c1ccc[nH+]c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.12 | Num_heavy_atoms: | 9 |
| TPSA: | 51.44 | NumAromaticRings: | 1 |
