Glycoside
GD038068
Name:
methyl (2s,4r)-1-[(2s,3r,4r,5s,6s)-6-(acetyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carb oxylateFormula:
C14H24O13N2S2Smiles:
COC(=O)[C@@H]1C[C@H](OS(N)(=O)=O)CN1S(=O)(=O)[C@H]1O[C@H](COC(C)=O)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
COC(=O)C1CC(OS(N)(=O)=O)CN1[S](=O)=O.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | -4.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 492.48 | Num_heavy_atoms: | 31 |
| TPSA: | 229.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
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 |
