Glycoside
GD039731
Name:
nicotinamide-adenine-dinucleotide (acidic form)Formula:
C21H27O14N7P2Smiles:
NC(=O)c1ccc[n+]([C@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@H](n4cnc5c(N)[nH+]cnc54)[C@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)c1Aglycone:
COP(=O)([O-])OP(=O)([O-])OC.NC(=O)c1ccc[nH+]c1.Nc1[nH+]cnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | -4.86 | Num_rotatable_bonds: | 11 |
| MolWt: | 663.43 | Num_heavy_atoms: | 44 |
| TPSA: | 325.17 | NumAromaticRings: | 3 |
Unique Aglycone
AD00069
Formula: C6H7ON2
Smiles:
NC(=O)c1ccc[nH+]c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 123.13 | Num_heavy_atoms: | 9 |
| TPSA: | 57.23 | NumAromaticRings: | 1 |
AD11381
Formula: C2H6O7P2
Smiles:
COP(=O)([O-])OP(=O)([O-])OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 204.01 | Num_heavy_atoms: | 11 |
| TPSA: | 107.95 | NumAromaticRings: | 0 |
AD24044
Formula: C5H5N5
Smiles:
Nc1[nH+]cnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.13 | Num_heavy_atoms: | 10 |
| TPSA: | 79.51 | NumAromaticRings: | 1 |
