Glycoside
...
GD094647

Name:
None

Formula:
C13H20O12N2S2

Smiles:
COC(=O)c1cncc(S(=O)(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c1

Aglycone:
COC(=O)c1cncc(S(N)(=O)=O)c1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 7 FractionCSP3: 0.54
AlogP: -1.89 Num_rotatable_bonds: 7
MolWt: 460.44 Num_heavy_atoms: 29
TPSA: 225.2 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
AD34817
Formula: C7H8O4N2S

Smiles:
COC(=O)c1cncc(S(N)(=O)=O)c1
HBA: 6 RingCount: 1
HBD: 2 FractionCSP3: 0.14
AlogP: -0.48 Num_rotatable_bonds: 2
MolWt: 216.22 Num_heavy_atoms: 14
TPSA: 99.35 NumAromaticRings: 1

Sugarmoiety
SD00017

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