Glycoside
...
GD109912

Name:
[3,4,5-tris(acetyloxy)-6-{[2-(4-bromophenoxy)ethyl]sulfanyl}oxan-2-yl]methyl acetate

Formula:
C22H27O10SBr

Smiles:
CC(=O)OC[C@@H]1O[C@H](SCCOc2ccc(Br)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.SCCOc1ccc(Br)cc1

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

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 0 FractionCSP3: 0.55
AlogP: 2.64 Num_rotatable_bonds: 10
MolWt: 563.42 Num_heavy_atoms: 34
TPSA: 123.66 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
AD44585
Formula: C8H9OSBr

Smiles:
SCCOc1ccc(Br)cc1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.25
AlogP: 2.76 Num_rotatable_bonds: 3
MolWt: 233.13 Num_heavy_atoms: 11
TPSA: 9.23 NumAromaticRings: 1

Sugarmoiety
SD00012

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