Glycoside
...
GD096632

Name:
None

Formula:
C18H23O9N2FS

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@H](O)[C@H](Nc2ncccc2OCc2ccc(F)cc2)[C@H]1O

Aglycone:
COS(O)(O)O.Nc1ncccc1OCc1ccc(F)cc1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 7 FractionCSP3: 0.39
AlogP: 1.17 Num_rotatable_bonds: 8
MolWt: 462.45 Num_heavy_atoms: 31
TPSA: 173.99 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
AD41088
Formula: C12H11ON2F

Smiles:
Nc1ncccc1OCc1ccc(F)cc1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.08
AlogP: 2.38 Num_rotatable_bonds: 3
MolWt: 218.23 Num_heavy_atoms: 16
TPSA: 48.14 NumAromaticRings: 2

Sugarmoiety
SD00017

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