Glycoside
...
GD075473

Name:
None

Formula:
C14H28O10NS

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H]([NH2+][C@H]2CCCC3(C2)OCCO3)[C@H]1O

Aglycone:
COS(O)(O)O.[NH3+]C1CCCC2(C1)OCCO2

Sugarmoiety:
OC1OC(O)C([OH2+])C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 8 FractionCSP3: 1.0
AlogP: -1.8 Num_rotatable_bonds: 5
MolWt: 402.44 Num_heavy_atoms: 26
TPSA: 174.91 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
AD26544
Formula: C8H16O2N

Smiles:
[NH3+]C1CCCC2(C1)OCCO2
HBA: 3 RingCount: 2
HBD: 3 FractionCSP3: 1.0
AlogP: -0.09 Num_rotatable_bonds: 0
MolWt: 158.22 Num_heavy_atoms: 11
TPSA: 46.1 NumAromaticRings: 0

Sugarmoiety
SD03900

OC1OC(O)C([OH2+])C(O)C1O