Glycoside
...
GD002193

Name:
None

Formula:
C22H37O12NS

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

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

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

Other Identifiers

Properties
HBA: 13 RingCount: 1
HBD: 2 FractionCSP3: 0.82
AlogP: 1.41 Num_rotatable_bonds: 15
MolWt: 539.6 Num_heavy_atoms: 36
TPSA: 183.82 NumAromaticRings: 0

Unique Aglycone
AD00036
Formula: CH5O3NS

Smiles:
COS(N)(=O)=O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 1.0
AlogP: -1.16 Num_rotatable_bonds: 1
MolWt: 111.12 Num_heavy_atoms: 6
TPSA: 69.39 NumAromaticRings: 0
AD00922
Formula: C4H8O2

Smiles:
CCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.75
AlogP: 0.87 Num_rotatable_bonds: 2
MolWt: 88.11 Num_heavy_atoms: 6
TPSA: 37.3 NumAromaticRings: 0

Sugarmoiety
SD00017

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