Glycoside
...
GD094140

Name:
None

Formula:
C16H24O11NFS

Smiles:
COc1ccc(CC(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c(F)c1OC

Aglycone:
COS(O)(O)O.COc1ccc(CC(N)=O)c(F)c1OC

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 7 FractionCSP3: 0.56
AlogP: -0.54 Num_rotatable_bonds: 8
MolWt: 457.43 Num_heavy_atoms: 30
TPSA: 187.4 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
AD34527
Formula: C10H12O3NF

Smiles:
COc1ccc(CC(N)=O)c(F)c1OC
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.3
AlogP: 0.87 Num_rotatable_bonds: 4
MolWt: 213.21 Num_heavy_atoms: 15
TPSA: 61.55 NumAromaticRings: 1

Sugarmoiety
SD00017

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