Glycoside
...
GD093426

Name:
None

Formula:
C12H24O16NS2

Smiles:
[NH3+][C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O[C@@H]2OC(C(=O)O)=C[C@H](O)[C@H]2OS(O)(O)O)[C@@H]1O

Aglycone:
COS(O)(O)O.O=C(O)C1=CC(O)C(OS(O)(O)O)C(O)O1

Sugarmoiety:
[NH3+]C1C(O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 2
HBD: 13 FractionCSP3: 0.75
AlogP: -2.58 Num_rotatable_bonds: 8
MolWt: 502.45 Num_heavy_atoms: 31
TPSA: 293.16 NumAromaticRings: 0

Unique Aglycone
AD12993
Formula: CH6O4S

Smiles:
COS(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: 0.77 Num_rotatable_bonds: 1
MolWt: 114.12 Num_heavy_atoms: 6
TPSA: 69.92 NumAromaticRings: 0
AD40406
Formula: C6H10O9S

Smiles:
O=C(O)C1=CC(O)C(OS(O)(O)O)C(O)O1
HBA: 9 RingCount: 1
HBD: 6 FractionCSP3: 0.5
AlogP: -0.81 Num_rotatable_bonds: 3
MolWt: 258.2 Num_heavy_atoms: 16
TPSA: 156.91 NumAromaticRings: 0

Sugarmoiety
SD03829

[NH3+]C1C(O)OC(O)C(O)C1O