Glycoside
...
GD063809

Name:
None

Formula:
C11H17O8N2FS

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@H](O)[C@H](Nc2cc(F)ccn2)[C@H]1O

Aglycone:
COS(O)(O)O.Nc1cc(F)ccn1

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

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 7 FractionCSP3: 0.55
AlogP: -0.4 Num_rotatable_bonds: 5
MolWt: 356.33 Num_heavy_atoms: 23
TPSA: 164.76 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
AD30683
Formula: C5H5N2F

Smiles:
Nc1cc(F)ccn1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 0.8 Num_rotatable_bonds: 0
MolWt: 112.11 Num_heavy_atoms: 8
TPSA: 38.91 NumAromaticRings: 1

Sugarmoiety
SD00017

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