Glycoside
...
GD011817

Name:
None

Formula:
C12H22O19S3

Smiles:
CO[C@@H]1OC[C@H](O[C@@H]2O[C@H](CO)[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:
O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O

Sugarmoiety:
COC1OCC(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 2
HBD: 6 FractionCSP3: 1.0
AlogP: -4.62 Num_rotatable_bonds: 10
MolWt: 566.49 Num_heavy_atoms: 34
TPSA: 288.41 NumAromaticRings: 0

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

Sugarmoiety
SD00360

COC1OCC(OC2OC(CO)C(O)C(O)C2O)C(O)C1O