Glycoside
GD075897
Name:
NoneFormula:
C11H16O10N3FSSmiles:
O=[N+]([O-])c1cnc(N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c(F)c1Aglycone:
COS(O)(O)O.Nc1ncc([N+](=O)[O-])cc1FSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 401.33 | Num_heavy_atoms: | 26 |
| TPSA: | 207.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD26642
Formula: C5H4O2N3F
Smiles:
Nc1ncc([N+](=O)[O-])cc1F| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 157.1 | Num_heavy_atoms: | 11 |
| TPSA: | 82.05 | NumAromaticRings: | 1 |
