Glycoside
...
GD063713

Name:
None

Formula:
C13H27O9NS

Smiles:
CCCC(C)(C)C(=O)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
CCCC(C)(C)C(N)=O.COS(O)(O)O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 1
HBD: 7 FractionCSP3: 0.92
AlogP: -0.11 Num_rotatable_bonds: 7
MolWt: 373.42 Num_heavy_atoms: 24
TPSA: 168.94 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
AD30651
Formula: C7H15ON

Smiles:
CCCC(C)(C)C(N)=O
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 0.86
AlogP: 1.3 Num_rotatable_bonds: 3
MolWt: 129.2 Num_heavy_atoms: 9
TPSA: 43.09 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O