Glycoside
...
GD063205

Name:
None

Formula:
C13H29O8N2S

Smiles:
C[N@H+]1CCC[C@H](N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CC1

Aglycone:
COS(O)(O)O.C[NH+]1CCCC(N)CC1

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

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 8 FractionCSP3: 1.0
AlogP: -2.39 Num_rotatable_bonds: 5
MolWt: 373.45 Num_heavy_atoms: 24
TPSA: 156.31 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
AD25117
Formula: C7H17N2

Smiles:
C[NH+]1CCCC(N)CC1
HBA: 2 RingCount: 1
HBD: 3 FractionCSP3: 1.0
AlogP: -0.99 Num_rotatable_bonds: 0
MolWt: 129.23 Num_heavy_atoms: 9
TPSA: 30.46 NumAromaticRings: 0

Sugarmoiety
SD00017

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