Glycoside
GD018159
Name:
NoneFormula:
C9H12O5N2SSmiles:
[O-]c1n[n+]([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)ccc1SAglycone:
[O-]c1n[nH+]ccc1SSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | -2.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 260.27 | Num_heavy_atoms: | 17 |
| TPSA: | 109.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD12861
Formula: C4H4ON2S
Smiles:
[O-]c1n[nH+]ccc1S| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 128.16 | Num_heavy_atoms: | 8 |
| TPSA: | 50.09 | NumAromaticRings: | 1 |
