Glycoside
...
GD080268

Name:
None

Formula:
C14H21O9NS2

Smiles:
Cc1ccsc1/C=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.Cc1ccsc1C=CC(N)=O

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

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 7 FractionCSP3: 0.5
AlogP: 0.15 Num_rotatable_bonds: 6
MolWt: 411.45 Num_heavy_atoms: 26
TPSA: 168.94 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
AD28872
Formula: C8H9ONS

Smiles:
Cc1ccsc1C=CC(N)=O
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.12
AlogP: 1.56 Num_rotatable_bonds: 2
MolWt: 167.23 Num_heavy_atoms: 11
TPSA: 43.09 NumAromaticRings: 1

Sugarmoiety
SD00017

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