Glycoside
...
GD099667

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

Formula:
C18H28O11S2

Smiles:
CCS(=O)(=O)CCS[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CCS(=O)(=O)CCS.COC(C)=O

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

Other Identifiers

Properties
HBA: 11 RingCount: 1
HBD: 0 FractionCSP3: 0.78
AlogP: 0.24 Num_rotatable_bonds: 10
MolWt: 484.55 Num_heavy_atoms: 31
TPSA: 148.57 NumAromaticRings: 0

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
AD06415
Formula: C4H10O2S2

Smiles:
CCS(=O)(=O)CCS
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 1.0
AlogP: 0.35 Num_rotatable_bonds: 3
MolWt: 154.26 Num_heavy_atoms: 8
TPSA: 34.14 NumAromaticRings: 0

Sugarmoiety
SD00012

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