Glycoside
GD038003
Name:
methyl (2s,4r)-1-[(2s,3r,4r,5s,6s)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carbox ylateFormula:
C12H22O12N2S2Smiles:
COC(=O)[C@@H]1C[C@@H](OS(N)(=O)=O)CN1S(=O)(=O)[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1OAglycone:
COC(=O)C1CC(OS(N)(=O)=O)CN1[S](=O)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | -5.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 450.44 | Num_heavy_atoms: | 28 |
| TPSA: | 223.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD18276
Formula: C6H11O7N2S2
Smiles:
COC(=O)C1CC(OS(N)(=O)=O)CN1[S](=O)=O| HBA: | 9 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | -2.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 287.3 | Num_heavy_atoms: | 17 |
| TPSA: | 133.07 | NumAromaticRings: | 0 |
