Glycoside
...
GD108934

Name:
None

Formula:
C22H27O11NS3

Smiles:
CS/C(=N\S(=O)(=O)c1ccccc1)S[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.CSC(S)=NS(=O)(=O)c1ccccc1

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 0 FractionCSP3: 0.5
AlogP: 1.91 Num_rotatable_bonds: 8
MolWt: 577.66 Num_heavy_atoms: 37
TPSA: 160.93 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
AD44499
Formula: C8H9O2NS3

Smiles:
CSC(S)=NS(=O)(=O)c1ccccc1
HBA: 3 RingCount: 1
HBD: 0 FractionCSP3: 0.12
AlogP: 2.02 Num_rotatable_bonds: 2
MolWt: 247.37 Num_heavy_atoms: 14
TPSA: 46.5 NumAromaticRings: 1

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O