Glycoside
GD039097
Name:
phenyl 1-thio-beta-d-glucopyranosiduronic acidFormula:
C12H14O6SSmiles:
O=C(O)[C@H]1O[C@H](Sc2ccccc2)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
Sc1ccccc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 286.31 | Num_heavy_atoms: | 19 |
| TPSA: | 107.22 | NumAromaticRings: | 1 |
Unique Aglycone
AD07729
Formula: C6H6S
Smiles:
Sc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.18 | Num_heavy_atoms: | 7 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
