Glycoside
...
GD079859

Name:
None

Formula:
C14H18O8N3FS

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@H](O)[C@H](Nc2ncnc3cc(F)ccc23)[C@H]1O

Aglycone:
COS(O)(O)O.Nc1ncnc2cc(F)ccc12

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 7 FractionCSP3: 0.43
AlogP: 0.14 Num_rotatable_bonds: 5
MolWt: 407.38 Num_heavy_atoms: 27
TPSA: 177.65 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
AD27743
Formula: C8H6N3F

Smiles:
Nc1ncnc2cc(F)ccc12
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 1.35 Num_rotatable_bonds: 0
MolWt: 163.16 Num_heavy_atoms: 12
TPSA: 51.8 NumAromaticRings: 2

Sugarmoiety
SD00017

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