Glycoside
GD037895
Name:
[1-(1,1-dioxido-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)-1h-1,2,3-triazol-4-yl]methyl alpha-l-idopyranosideFormula:
C16H18O9N4SSmiles:
O=C1NS(=O)(=O)c2cc(-n3cc(CO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4O)nn3)ccc21Aglycone:
O=C1NS(=O)(=O)c2cc(-n3cc(CO)nn3)ccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -2.98 | Num_rotatable_bonds: | 5 |
| MolWt: | 442.41 | Num_heavy_atoms: | 30 |
| TPSA: | 193.33 | NumAromaticRings: | 2 |
Unique Aglycone
AD11370
Formula: C10H8O4N4S
Smiles:
O=C1NS(=O)(=O)c2cc(-n3cc(CO)nn3)ccc21| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 280.27 | Num_heavy_atoms: | 19 |
| TPSA: | 114.18 | NumAromaticRings: | 2 |
