Glycoside
...
GD095727

Name:
None

Formula:
C14H20O11N2S2

Smiles:
COc1ccc(C#N)c(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:
COS(O)(O)O.COc1ccc(C#N)c(S(N)(=O)=O)c1

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 7 FractionCSP3: 0.5
AlogP: -1.19 Num_rotatable_bonds: 7
MolWt: 456.45 Num_heavy_atoms: 29
TPSA: 219.03 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
AD32142
Formula: C8H8O3N2S

Smiles:
COc1ccc(C#N)c(S(N)(=O)=O)c1
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.12
AlogP: 0.21 Num_rotatable_bonds: 2
MolWt: 212.23 Num_heavy_atoms: 14
TPSA: 93.18 NumAromaticRings: 1

Sugarmoiety
SD00017

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