Glycoside
...
GD094881

Name:
None

Formula:
C17H22O11N2S2

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(Oc2ccccn2)cc1

Aglycone:
COS(O)(O)O.NS(=O)(=O)c1ccc(Oc2ccccn2)cc1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 7 FractionCSP3: 0.35
AlogP: 0.12 Num_rotatable_bonds: 8
MolWt: 494.5 Num_heavy_atoms: 32
TPSA: 208.13 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
AD36580
Formula: C11H10O3N2S

Smiles:
NS(=O)(=O)c1ccc(Oc2ccccn2)cc1
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 1.52 Num_rotatable_bonds: 3
MolWt: 250.28 Num_heavy_atoms: 17
TPSA: 82.28 NumAromaticRings: 2

Sugarmoiety
SD00017

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