Glycoside
GD070602
Name:
NoneFormula:
C16H22O8SSmiles:
CO[C@H]1O[C@@H](C)[C@@H](O)[C@@H](OS(=O)(=O)c2ccc(C)cc2)[C@@H]1OC(C)=OAglycone:
Cc1ccc(S(=O)(=O)O)cc1Sugarmoiety:
COC1OC(C)C(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.56 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 374.41 | Num_heavy_atoms: | 25 |
| TPSA: | 108.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD00419
Formula: C7H8O3S
Smiles:
Cc1ccc(S(=O)(=O)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 172.21 | Num_heavy_atoms: | 11 |
| TPSA: | 54.37 | NumAromaticRings: | 1 |
