Glycoside
...
GD066865

Name:
None

Formula:
C13H26O9NS

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H](C2)O3)[C@H]1O

Aglycone:
COS(O)(O)O.[NH3+]C1CC2CCC(C1)O2

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 8 FractionCSP3: 1.0
AlogP: -1.78 Num_rotatable_bonds: 5
MolWt: 372.42 Num_heavy_atoms: 24
TPSA: 165.68 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
AD31969
Formula: C7H14ON

Smiles:
[NH3+]C1CC2CCC(C1)O2
HBA: 2 RingCount: 2
HBD: 3 FractionCSP3: 1.0
AlogP: -0.06 Num_rotatable_bonds: 0
MolWt: 128.19 Num_heavy_atoms: 9
TPSA: 36.87 NumAromaticRings: 0

Sugarmoiety
SD03900

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