Glycoside
...
GD076130

Name:
None

Formula:
C9H18O10N2S2

Smiles:
C[C@@H](C#N)S(=O)(=O)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
CC(C#N)S(N)(=O)=O.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 1
HBD: 7 FractionCSP3: 0.89
AlogP: -2.22 Num_rotatable_bonds: 6
MolWt: 378.38 Num_heavy_atoms: 23
TPSA: 209.8 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
AD25115
Formula: C3H6O2N2S

Smiles:
CC(C#N)S(N)(=O)=O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.67
AlogP: -0.81 Num_rotatable_bonds: 1
MolWt: 134.16 Num_heavy_atoms: 8
TPSA: 83.95 NumAromaticRings: 0

Sugarmoiety
SD00017

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