Glycoside
...
GD002743

Name:
None

Formula:
C19H18O23S4

Smiles:
O=c1c2cc(O)c(O)cc2oc2cc(O)c([C@@H]3O[C@H](COS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]3OS(=O)(=O)O)c(O)c12

Aglycone:
COS(=O)(=O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12

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

Other Identifiers

Properties
HBA: 23 RingCount: 4
HBD: 8 FractionCSP3: 0.32
AlogP: -1.41 Num_rotatable_bonds: 10
MolWt: 742.6 Num_heavy_atoms: 46
TPSA: 374.76 NumAromaticRings: 3

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
AD02582
Formula: C13H8O6

Smiles:
O=c1c2cc(O)c(O)cc2oc2cc(O)cc(O)c12
HBA: 6 RingCount: 3
HBD: 4 FractionCSP3: 0.0
AlogP: 1.77 Num_rotatable_bonds: 0
MolWt: 260.2 Num_heavy_atoms: 19
TPSA: 111.13 NumAromaticRings: 3

Sugarmoiety
SD00017

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