Glycoside
...
GD013000

Name:
None

Formula:
C13H19O26S5

Smiles:
CO[C@@H]1O[C@H](COS(=O)(=O)[O-])[C@H](O[C@@H]2O[C@H](COS(=O)(=O)[O-])[C@H](O)[C@H](O)[C@H]2OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-]

Aglycone:
COS(=O)(=O)[O-].COS(=O)(=O)[O-].O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])O

Sugarmoiety:
COC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 2
HBD: 2 FractionCSP3: 1.0
AlogP: -7.32 Num_rotatable_bonds: 15
MolWt: 751.6 Num_heavy_atoms: 44
TPSA: 409.53 NumAromaticRings: 0

Unique Aglycone
AD00426
Formula: HO4S

Smiles:
O=S(=O)([O-])O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.0
AlogP: -1.0 Num_rotatable_bonds: 0
MolWt: 97.07 Num_heavy_atoms: 5
TPSA: 77.43 NumAromaticRings: 0
AD00581
Formula: CH3O4S

Smiles:
COS(=O)(=O)[O-]
HBA: 4 RingCount: 0
HBD: 0 FractionCSP3: 1.0
AlogP: -0.91 Num_rotatable_bonds: 1
MolWt: 111.1 Num_heavy_atoms: 6
TPSA: 66.43 NumAromaticRings: 0

Sugarmoiety
SD01792

COC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1O