Glycoside
...
GD093757

Name:
None

Formula:
C13H18O12NClS3

Smiles:
COC(=O)c1sc(Cl)cc1S(=O)(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
COC(=O)c1sc(Cl)cc1S(N)(=O)=O.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 7 FractionCSP3: 0.58
AlogP: -0.57 Num_rotatable_bonds: 7
MolWt: 499.93 Num_heavy_atoms: 29
TPSA: 212.31 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
AD36303
Formula: C7H6O4NClS2

Smiles:
COC(=O)c1sc(Cl)cc1S(N)(=O)=O
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.17
AlogP: 0.84 Num_rotatable_bonds: 2
MolWt: 255.7 Num_heavy_atoms: 14
TPSA: 86.46 NumAromaticRings: 1

Sugarmoiety
SD00017

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