Glycoside
...
GD107013

Name:
None

Formula:
C21H27O11NS

Smiles:
CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@@H](NS(=O)(=O)Cc2ccccc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.NS(=O)(=O)Cc1ccccc1

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 1 FractionCSP3: 0.52
AlogP: 0.19 Num_rotatable_bonds: 9
MolWt: 501.51 Num_heavy_atoms: 34
TPSA: 160.6 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD25426
Formula: C7H9O2NS

Smiles:
NS(=O)(=O)Cc1ccccc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.14
AlogP: 0.48 Num_rotatable_bonds: 2
MolWt: 171.22 Num_heavy_atoms: 11
TPSA: 60.16 NumAromaticRings: 1

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O