Glycoside
GD040544
Name:
[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2r,3r)-2,3-dihydroxy-4-oxo-pentoxy]-oxido-phosphoryl] phosphateFormula:
C15H21O13N5P2Smiles:
CC(=O)[C@@H](O)[C@@H](O)CO[P@](=O)([O-])O[P@](=O)([O-])OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
COP(=O)([O-])O[PH](=O)[O-].Nc1ncnc2c1N=C[N]2Sugarmoiety:
CC(=O)C(O)C(O)O.OOCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -3.67 | Num_rotatable_bonds: | 11 |
| MolWt: | 541.3 | Num_heavy_atoms: | 35 |
| TPSA: | 284.79 | NumAromaticRings: | 2 |
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 |
AD10890
Formula: CH4O6P2
Smiles:
COP(=O)([O-])O[PH](=O)[O-]| HBA: | 6 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 173.98 | Num_heavy_atoms: | 9 |
| TPSA: | 98.72 | NumAromaticRings: | 0 |
