Glycoside
...
GD094265

Name:
None

Formula:
C17H24O9N3FS

Smiles:
CCc1nc2cccc(F)c2n1CC(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
CCc1nc2cccc(F)c2n1CC(N)=O.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.53
AlogP: -0.18 Num_rotatable_bonds: 7
MolWt: 465.46 Num_heavy_atoms: 31
TPSA: 186.76 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
AD34566
Formula: C11H12ON3F

Smiles:
CCc1nc2cccc(F)c2n1CC(N)=O
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.27
AlogP: 1.22 Num_rotatable_bonds: 3
MolWt: 221.23 Num_heavy_atoms: 16
TPSA: 60.91 NumAromaticRings: 2

Sugarmoiety
SD00017

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