Glycoside
...
GD025336

Name:
None

Formula:
C14H20O11S2

Smiles:
COC1OC(C)C(OCc2ccccc2)C(OS(=O)(=O)O)C1OS(=O)(=O)O

Aglycone:
O=S(=O)(O)O.O=S(=O)(O)O.OCc1ccccc1

Sugarmoiety:
COC1OC(C)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 2 FractionCSP3: 0.57
AlogP: 0.34 Num_rotatable_bonds: 8
MolWt: 428.44 Num_heavy_atoms: 27
TPSA: 154.89 NumAromaticRings: 1

Unique Aglycone
AD00034
Formula: H2O4S

Smiles:
O=S(=O)(O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 98.08 Num_heavy_atoms: 5
TPSA: 74.6 NumAromaticRings: 0
AD00044
Formula: C7H8O

Smiles:
OCc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1

Sugarmoiety
SD00155

COC1OC(C)C(O)C(O)C1O