Glycoside
...
GD089379

Name:
None

Formula:
C16H22O9N2FS

Smiles:
COc1cc2cc[nH+]c(N[C@H]3[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]3O)c2cc1F

Aglycone:
COS(O)(O)O.COc1cc2cc[nH+]c(N)c2cc1F

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 8 FractionCSP3: 0.44
AlogP: 0.18 Num_rotatable_bonds: 6
MolWt: 437.42 Num_heavy_atoms: 29
TPSA: 175.24 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
AD32284
Formula: C10H10ON2F

Smiles:
COc1cc2cc[nH+]c(N)c2cc1F
HBA: 3 RingCount: 2
HBD: 3 FractionCSP3: 0.1
AlogP: 1.38 Num_rotatable_bonds: 1
MolWt: 193.2 Num_heavy_atoms: 14
TPSA: 49.39 NumAromaticRings: 2

Sugarmoiety
SD00017

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