Glycoside
GD038001
Name:
(1s)-1-(6-amino-2-hydroxy-5-nitropyridin-3-yl)-1,4-anhydro-5-o-phosphono-d-ribitolFormula:
C10H14O10N3PSmiles:
Nc1nc(O)c([C@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]2O)cc1[N+](=O)[O-]Aglycone:
COP(=O)(O)O.Nc1nc(O)ccc1[N+](=O)[O-]Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 367.21 | Num_heavy_atoms: | 24 |
| TPSA: | 218.73 | NumAromaticRings: | 1 |
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 |
AD23822
Formula: C5H5O3N3
Smiles:
Nc1nc(O)ccc1[N+](=O)[O-]| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 155.11 | Num_heavy_atoms: | 11 |
| TPSA: | 102.28 | NumAromaticRings: | 1 |
