Glycoside
GD026535
Name:
NoneFormula:
C11H16O7N5PSSmiles:
C[n+]1cn([C@@H]2O[C@H](COP(=O)(O)S)[C@H](O)[C@H]2O)c2nc(N)nc([O-])c21Aglycone:
COP(=O)(O)S.C[N+]1=C[N]c2nc(N)nc([O-])c21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -2.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 393.32 | Num_heavy_atoms: | 25 |
| TPSA: | 179.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD00655
Formula: CH5O3PS
Smiles:
COP(=O)(O)S| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 1 |
| MolWt: | 128.09 | Num_heavy_atoms: | 6 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
AD03635
Formula: C6H6ON5
Smiles:
C[N+]1=C[N]c2nc(N)nc([O-])c21| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | -1.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 164.15 | Num_heavy_atoms: | 12 |
| TPSA: | 91.97 | NumAromaticRings: | 1 |
