Glycoside
...
GD005429

Name:
None

Formula:
C20H22O26S6

Smiles:
O=S(=O)(O)OC[C@@H]1O[C@H](Oc2cc(C=Cc3ccc(OS(=O)(=O)O)cc3)cc(OS(=O)(=O)O)c2)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O

Aglycone:
COS(=O)(=O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)Oc1ccc(C=Cc2cc(O)cc(OS(=O)(=O)O)c2)cc1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 3
HBD: 6 FractionCSP3: 0.3
AlogP: -1.29 Num_rotatable_bonds: 17
MolWt: 870.77 Num_heavy_atoms: 52
TPSA: 400.06 NumAromaticRings: 2

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
AD00053
Formula: CH4O4S

Smiles:
COS(=O)(=O)O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: -0.56 Num_rotatable_bonds: 1
MolWt: 112.11 Num_heavy_atoms: 6
TPSA: 63.6 NumAromaticRings: 0
AD04615
Formula: C14H12O9S2

Smiles:
O=S(=O)(O)Oc1ccc(C=Cc2cc(O)cc(OS(=O)(=O)O)c2)cc1
HBA: 9 RingCount: 2
HBD: 3 FractionCSP3: 0.0
AlogP: 1.93 Num_rotatable_bonds: 6
MolWt: 388.38 Num_heavy_atoms: 25
TPSA: 147.43 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O