Glycoside
GD105969
Name:
NoneFormula:
C22H33O14N6P2Smiles:
CC(=O)c1ccc[n+]([C@@H]2O[C@@H](CO[PH](O)(O)O[PH](O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c1Aglycone:
CC(=O)c1ccc[nH+]c1.CO[PH](O)(O)O[PH](O)(O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.5 |
| AlogP: | -3.32 | Num_rotatable_bonds: | 11 |
| MolWt: | 667.48 | Num_heavy_atoms: | 44 |
| TPSA: | 298.56 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD24014
Formula: C7H8ON
Smiles:
CC(=O)c1ccc[nH+]c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.15 | Num_heavy_atoms: | 9 |
| TPSA: | 31.21 | NumAromaticRings: | 1 |
AD40426
Formula: C2H12O7P2
Smiles:
CO[PH](O)(O)O[PH](O)(O)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 210.06 | Num_heavy_atoms: | 11 |
| TPSA: | 108.61 | NumAromaticRings: | 0 |
