Glycoside
...
GD096226

Name:
None

Formula:
C20H35O9N2S

Smiles:
CCCC[N@@H+](CC)[C@H](C(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1ccccc1

Aglycone:
CCCC[NH+](CC)C(C(N)=O)c1ccccc1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 8 FractionCSP3: 0.65
AlogP: -0.49 Num_rotatable_bonds: 11
MolWt: 479.57 Num_heavy_atoms: 32
TPSA: 173.38 NumAromaticRings: 1

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
AD40929
Formula: C14H23ON2

Smiles:
CCCC[NH+](CC)C(C(N)=O)c1ccccc1
HBA: 3 RingCount: 1
HBD: 3 FractionCSP3: 0.5
AlogP: 0.92 Num_rotatable_bonds: 7
MolWt: 235.35 Num_heavy_atoms: 17
TPSA: 47.53 NumAromaticRings: 1

Sugarmoiety
SD00017

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