Glycoside
GD062294
Name:
NoneFormula:
C16H22O5SSmiles:
CO[C@H]1[C@H](C)O[C@H](Sc2ccccc2)[C@H](OC(C)=O)[C@@H]1OCAglycone:
Sc1ccccc1Sugarmoiety:
COC1C(C)OC(O)C(OC(C)=O)C1OCOther Identifiers
Properties
| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.56 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 326.41 | Num_heavy_atoms: | 22 |
| TPSA: | 53.99 | 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 |
