Glycoside
...
GD072134

Name:
None

Formula:
C11H23O9NS2

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

Aglycone:
COS(O)(O)O.CSCC(C)C(N)=O

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

Other Identifiers

Properties
HBA: 10 RingCount: 1
HBD: 7 FractionCSP3: 0.91
AlogP: -0.94 Num_rotatable_bonds: 7
MolWt: 377.44 Num_heavy_atoms: 23
TPSA: 168.94 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
AD33765
Formula: C5H11ONS

Smiles:
CSCC(C)C(N)=O
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 0.8
AlogP: 0.47 Num_rotatable_bonds: 3
MolWt: 133.22 Num_heavy_atoms: 8
TPSA: 43.09 NumAromaticRings: 0

Sugarmoiety
SD00017

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