Glycoside
...
GD106108

Name:
None

Formula:
C28H40O22S5

Smiles:
COc1ccc(C(=O)O[C@@H]2[C@@H]3O[C@]3(COS(C)(=O)=O)[C@H]3[C@H](O[C@@H]4O[C@H](COS(C)(=O)=O)[C@@H](OS(C)(=O)=O)[C@H](OS(C)(=O)=O)[C@H]4OS(C)(=O)=O)OCC[C@@H]23)cc1

Aglycone:
COS(C)(=O)=O.COc1ccc(C(=O)OC2C3CCOC(O)C3C3(COS(C)(=O)=O)OC23)cc1.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O

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

Other Identifiers

Properties
HBA: 22 RingCount: 5
HBD: 0 FractionCSP3: 0.75
AlogP: -1.92 Num_rotatable_bonds: 17
MolWt: 888.94 Num_heavy_atoms: 55
TPSA: 292.6 NumAromaticRings: 1

Unique Aglycone
AD00013
Formula: CH4O3S

Smiles:
CS(=O)(=O)O
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: -0.5 Num_rotatable_bonds: 0
MolWt: 96.11 Num_heavy_atoms: 5
TPSA: 54.37 NumAromaticRings: 0
AD02567
Formula: C2H6O3S

Smiles:
COS(C)(=O)=O
HBA: 3 RingCount: 0
HBD: 0 FractionCSP3: 1.0
AlogP: -0.41 Num_rotatable_bonds: 1
MolWt: 110.13 Num_heavy_atoms: 6
TPSA: 43.37 NumAromaticRings: 0
AD44114
Formula: C18H22O9S

Smiles:
COc1ccc(C(=O)OC2C3CCOC(O)C3C3(COS(C)(=O)=O)OC23)cc1
HBA: 9 RingCount: 4
HBD: 1 FractionCSP3: 0.61
AlogP: 0.32 Num_rotatable_bonds: 6
MolWt: 414.43 Num_heavy_atoms: 28
TPSA: 120.89 NumAromaticRings: 1

Sugarmoiety
SD00017

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