Glycoside
...
GD037171

Name:
None

Formula:
C16H24O10S

Smiles:
C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]1O

Aglycone:
CC(O)CCc1ccc(O)cc1.O=S(=O)(O)O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 5 FractionCSP3: 0.62
AlogP: -0.64 Num_rotatable_bonds: 8
MolWt: 408.43 Num_heavy_atoms: 27
TPSA: 162.98 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
AD04221
Formula: C10H14O2

Smiles:
CC(O)CCc1ccc(O)cc1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.4
AlogP: 1.71 Num_rotatable_bonds: 3
MolWt: 166.22 Num_heavy_atoms: 12
TPSA: 40.46 NumAromaticRings: 1

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O