Glycoside
...
GD096867

Name:
None

Formula:
C17H20O10NClS2

Smiles:
O=S(=O)(N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c2ccccc12

Aglycone:
COS(O)(O)O.NS(=O)(=O)c1ccc(Cl)c2ccccc12

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 7 FractionCSP3: 0.38
AlogP: 0.73 Num_rotatable_bonds: 6
MolWt: 485.92 Num_heavy_atoms: 30
TPSA: 186.01 NumAromaticRings: 2

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
AD41180
Formula: C11H8O2NClS

Smiles:
NS(=O)(=O)c1ccc(Cl)c2ccccc12
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 2.14 Num_rotatable_bonds: 1
MolWt: 241.7 Num_heavy_atoms: 15
TPSA: 60.16 NumAromaticRings: 2

Sugarmoiety
SD00017

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