Glycoside
GD045396
Name:
2-(hydroxymethyl)-6-(phenylsulfanyl)oxane-3,4,5-triolFormula:
C12H16O5SSmiles:
OC[C@H]1O[C@H](Sc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1OAglycone:
Sc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 272.32 | Num_heavy_atoms: | 18 |
| TPSA: | 90.15 | 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 |
