Glycoside
GD047279
Name:
NoneFormula:
C11H13O6N2SSmiles:
O=c1cc(O)[n+]([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2sccn12Aglycone:
O=c1cc(O)[nH+]c2sccn12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 301.3 | Num_heavy_atoms: | 20 |
| TPSA: | 115.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD25445
Formula: C6H5O2N2S
Smiles:
O=c1cc(O)[nH+]c2sccn12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 0 |
| MolWt: | 169.19 | Num_heavy_atoms: | 11 |
| TPSA: | 55.85 | NumAromaticRings: | 2 |
