Glycoside
...
GD086594

Name:
None

Formula:
C14H27O11N2S

Smiles:
COC(=O)[C@H]1CC[N@H+](CC(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)C1

Aglycone:
COC(=O)C1CC[NH+](CC(N)=O)C1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 8 FractionCSP3: 0.86
AlogP: -3.86 Num_rotatable_bonds: 7
MolWt: 431.44 Num_heavy_atoms: 28
TPSA: 199.68 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
AD27359
Formula: C8H15O3N2

Smiles:
COC(=O)C1CC[NH+](CC(N)=O)C1
HBA: 5 RingCount: 1
HBD: 3 FractionCSP3: 0.75
AlogP: -2.45 Num_rotatable_bonds: 3
MolWt: 187.22 Num_heavy_atoms: 13
TPSA: 73.83 NumAromaticRings: 0

Sugarmoiety
SD00017

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