Glycoside
GD147770
Name:
Nicotinate RibonucleotideFormula:
C11H17O9NPSmiles:
O=C(O)C1=C[NH+](C2OC(COP(=O)(O)O)C(O)C2O)CC=C1Aglycone:
COP(=O)(O)O.O=C(O)C1=C[NH2+]CC=C1Sugarmoiety:
OC1OC([OH+])C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | -3.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 338.23 | Num_heavy_atoms: | 22 |
| TPSA: | 158.19 | 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 |
AD52623
Formula: C6H8O2N
Smiles:
O=C(O)C1=C[NH2+]CC=C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 126.13 | Num_heavy_atoms: | 9 |
| TPSA: | 53.91 | NumAromaticRings: | 0 |
