Glycoside
...
GD094375

Name:
None

Formula:
C18H26O10N2F2S

Smiles:
CCN(CC)C(=O)c1c(F)ccc(F)c1C(=O)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
CCN(CC)C(=O)c1c(F)ccc(F)c1C(N)=O.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 7 FractionCSP3: 0.56
AlogP: 0.14 Num_rotatable_bonds: 8
MolWt: 500.47 Num_heavy_atoms: 33
TPSA: 189.25 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
AD36939
Formula: C12H14O2N2F2

Smiles:
CCN(CC)C(=O)c1c(F)ccc(F)c1C(N)=O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.33
AlogP: 1.55 Num_rotatable_bonds: 4
MolWt: 256.25 Num_heavy_atoms: 18
TPSA: 63.4 NumAromaticRings: 1

Sugarmoiety
SD00017

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