Glycoside
GD039740
Name:
n6-benzyl-nicotinamide-adenine-dinucleotideFormula:
C28H33O14N7P2Smiles:
NC(=O)c1ccc[n+]([C@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@H]3O[C@H](n4cnc5c(NCc6ccccc6)ncnc54)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c1Aglycone:
C1=Nc2c(ncnc2NCc2ccccc2)[N]1.COP(=O)([O-])OP(=O)(O)OC.NC(=O)c1ccc[nH+]c1Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.39 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 14 |
| MolWt: | 753.56 | Num_heavy_atoms: | 51 |
| TPSA: | 307.1 | NumAromaticRings: | 4 |
Unique Aglycone
AD00068
Formula: C2H7O7P2
Smiles:
COP(=O)([O-])OP(=O)(O)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 205.02 | Num_heavy_atoms: | 11 |
| TPSA: | 105.12 | NumAromaticRings: | 0 |
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 |
AD01429
Formula: C12H10N5
Smiles:
C1=Nc2c(ncnc2NCc2ccccc2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 224.25 | Num_heavy_atoms: | 17 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
