Glycoside
GD052939
Name:
NoneFormula:
C11H17O9NPSmiles:
O=C(O)c1ccc[n+]([C@@H]2O[C@H](CO[PH](O)(O)O)[C@@H](O)[C@H]2O)c1Aglycone:
CO[PH](O)(O)O.O=C(O)c1ccc[nH+]c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | -2.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 338.23 | Num_heavy_atoms: | 22 |
| TPSA: | 160.79 | NumAromaticRings: | 1 |
Unique Aglycone
AD01127
Formula: C6H6O2N
Smiles:
O=C(O)c1ccc[nH+]c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.12 | Num_heavy_atoms: | 9 |
| TPSA: | 51.44 | NumAromaticRings: | 1 |
AD01852
Formula: CH7O4P
Smiles:
CO[PH](O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.04 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
