Glycoside
GD038336
Name:
[3,4-dihydroxy-5r-(2,2,4-trioxo-1,2r,3s,4r-tetrahydro-2l6-imidazo[4,5-c][1,2,6]thiadiazin-7-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphateFormula:
C9H13O10N4PSSmiles:
O=C1NS(=O)(=O)Nc2c1ncn2[C@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)O.O=C1NS(=O)(=O)NC2=C1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -2.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 400.26 | Num_heavy_atoms: | 25 |
| TPSA: | 209.54 | NumAromaticRings: | 1 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
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 |
