Glycoside
...
GD096756

Name:
None

Formula:
C17H19O8N3FClS

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@@H](O)[C@H](Nc2cc(F)ccc2-c2ccc(Cl)nn2)[C@H]1O

Aglycone:
COS(O)(O)O.Nc1cc(F)ccc1-c1ccc(Cl)nn1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 7 FractionCSP3: 0.38
AlogP: 1.31 Num_rotatable_bonds: 6
MolWt: 467.86 Num_heavy_atoms: 30
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
AD41140
Formula: C11H7N3FCl

Smiles:
Nc1cc(F)ccc1-c1ccc(Cl)nn1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 2.52 Num_rotatable_bonds: 1
MolWt: 223.64 Num_heavy_atoms: 15
TPSA: 51.8 NumAromaticRings: 2

Sugarmoiety
SD00017

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