Glycoside
GD006186
Name:
NoneFormula:
C13H18O10SSmiles:
O=S(=O)(O)OC[C@@H]1O[C@H](Oc2ccccc2CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)O.OCc1ccccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -1.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 366.34 | Num_heavy_atoms: | 24 |
| TPSA: | 162.98 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
AD05140
Formula: C7H8O2
Smiles:
OCc1ccccc1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
