Glycoside
GD012600
Name:
{[6-(benzyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}sulfonic acidFormula:
C13H18O9SSmiles:
O=S(=O)(O)OC[C@@H]1O[C@H](OCc2ccccc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)O.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 350.35 | Num_heavy_atoms: | 23 |
| TPSA: | 142.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD00053
Formula: CH4O4S
Smiles:
COS(=O)(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.11 | Num_heavy_atoms: | 6 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
