Glycoside
GD067059
Name:
NoneFormula:
C11H16O9N2SSmiles:
O=[N+]([O-])c1cc(N[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)ccc1S(O)(O)OAglycone:
Nc1ccc(S(O)(O)O)c([N+](=O)[O-])c1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 352.32 | Num_heavy_atoms: | 23 |
| TPSA: | 185.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD32050
Formula: C6H8O5N2S
Smiles:
Nc1ccc(S(O)(O)O)c([N+](=O)[O-])c1| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 2 |
| MolWt: | 220.21 | Num_heavy_atoms: | 14 |
| TPSA: | 129.85 | NumAromaticRings: | 1 |
