Glycoside
...
GD079348

Name:
None

Formula:
C14H27O11NS

Smiles:
CCOC(=O)[C@@H]1CC[C@@H](N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CO1

Aglycone:
CCOC(=O)C1CCC(N)CO1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 7 FractionCSP3: 0.93
AlogP: -1.35 Num_rotatable_bonds: 7
MolWt: 417.43 Num_heavy_atoms: 27
TPSA: 187.4 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
AD27285
Formula: C8H15O3N

Smiles:
CCOC(=O)C1CCC(N)CO1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.88
AlogP: 0.06 Num_rotatable_bonds: 2
MolWt: 173.21 Num_heavy_atoms: 12
TPSA: 61.55 NumAromaticRings: 0

Sugarmoiety
SD00017

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