Glycoside
...
GD079362

Name:
None

Formula:
C15H21O8NF2S

Smiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@H](O)[C@H](NC2Cc3cc(F)c(F)cc3C2)[C@H]1O

Aglycone:
COS(O)(O)O.NC1Cc2cc(F)c(F)cc2C1

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

Other Identifiers

Properties
HBA: 9 RingCount: 3
HBD: 7 FractionCSP3: 0.6
AlogP: -0.02 Num_rotatable_bonds: 5
MolWt: 413.4 Num_heavy_atoms: 27
TPSA: 151.87 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
AD27340
Formula: C9H9NF2

Smiles:
NC1Cc2cc(F)c(F)cc2C1
HBA: 1 RingCount: 2
HBD: 2 FractionCSP3: 0.33
AlogP: 1.39 Num_rotatable_bonds: 0
MolWt: 169.17 Num_heavy_atoms: 12
TPSA: 26.02 NumAromaticRings: 1

Sugarmoiety
SD00017

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