Glycoside
...
GD100840

Name:
None

Formula:
C21H26O9NFS

Smiles:
C[C@H](C(=O)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1ccc(-c2ccccc2)c(F)c1

Aglycone:
CC(C(N)=O)c1ccc(-c2ccccc2)c(F)c1.COS(O)(O)O

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 7 FractionCSP3: 0.38
AlogP: 1.68 Num_rotatable_bonds: 7
MolWt: 487.5 Num_heavy_atoms: 33
TPSA: 168.94 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
AD42602
Formula: C15H14ONF

Smiles:
CC(C(N)=O)c1ccc(-c2ccccc2)c(F)c1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.13
AlogP: 3.08 Num_rotatable_bonds: 3
MolWt: 243.28 Num_heavy_atoms: 18
TPSA: 43.09 NumAromaticRings: 2

Sugarmoiety
SD00017

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