Glycoside
GD152298
Name:
Nicotinate MononucleotideFormula:
C11H16O9NPSmiles:
O=C(O)C1=CC=CN(C2OC(COP(=O)(O)O)C(O)C2O)C1Aglycone:
COP(=O)(O)O.O=C(O)C1=CC=CNC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 337.22 | Num_heavy_atoms: | 22 |
| TPSA: | 156.99 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
AD48505
Formula: C6H7O2N
Smiles:
O=C(O)C1=CC=CNC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 49.33 | NumAromaticRings: | 0 |
