Glycoside
GD037680
Name:
7-(3,4-dihydroxy-5r-hydroxymethyltetrahydrofuran-2-yl)-2,2-dioxo-1,2r,3r,7-tetrahydro-2l6-imidazo[4,5-c][1,2,6]thiadiazin-4s-oneFormula:
C9H12O7N4SSmiles:
O=C1NS(=O)(=O)Nc2c1ncn2[C@H]1O[C@H](CO)[C@H](O)[C@@H]1OAglycone:
O=C1NS(=O)(=O)NC2=C1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -3.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 320.28 | Num_heavy_atoms: | 21 |
| TPSA: | 163.01 | NumAromaticRings: | 1 |
Unique Aglycone
AD00160
Formula: C4H3O3N4S
Smiles:
O=C1NS(=O)(=O)NC2=C1N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -2.23 | Num_rotatable_bonds: | 0 |
| MolWt: | 187.16 | Num_heavy_atoms: | 12 |
| TPSA: | 101.73 | NumAromaticRings: | 0 |
