Glycoside
GD038387
Name:
[(2r,3s,4r,5r)-5-[6-azanyl-1-(phenylmethyl)purin-1-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphateFormula:
C17H21O7N5PSmiles:
Nc1c2ncn([C@H]3O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]3O)c2nc[n+]1Cc1ccccc1Aglycone:
COP(=O)(O)O.Nc1c2c(nc[n+]1Cc1ccccc1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 438.36 | Num_heavy_atoms: | 30 |
| TPSA: | 177.06 | NumAromaticRings: | 3 |
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 |
AD24006
Formula: C12H11N5
Smiles:
Nc1c2c(nc[n+]1Cc1ccccc1)[N]C=N2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 2 |
| MolWt: | 225.26 | Num_heavy_atoms: | 17 |
| TPSA: | 69.25 | NumAromaticRings: | 2 |
