Glycoside
GD082671
Name:
NoneFormula:
C13H20O9N2S2Smiles:
CCOC(=O)c1sc(S(=O)(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)nc1CAglycone:
CCOC(=O)c1sc(S(N)(=O)=O)nc1CSugarmoiety:
O=CC(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -2.45 | Num_rotatable_bonds: | 10 |
| MolWt: | 412.44 | Num_heavy_atoms: | 26 |
| TPSA: | 183.35 | NumAromaticRings: | 1 |
Unique Aglycone
AD36332
Formula: C7H10O4N2S2
Smiles:
CCOC(=O)c1sc(S(N)(=O)=O)nc1C| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 250.3 | Num_heavy_atoms: | 15 |
| TPSA: | 99.35 | NumAromaticRings: | 1 |
