Glycoside
...
GD104309

Name:
[3,4,5-tris(acetyloxy)-6-(benzoylsulfanyl)oxan-2-yl]methyl acetate

Formula:
C21H24O10S

Smiles:
CC(=O)OC[C@H]1O[C@@H](SC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

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

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

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 0 FractionCSP3: 0.48
AlogP: 1.64 Num_rotatable_bonds: 7
MolWt: 468.48 Num_heavy_atoms: 32
TPSA: 131.5 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
AD25390
Formula: C7H6OS

Smiles:
O=C(S)c1ccccc1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.0
AlogP: 1.76 Num_rotatable_bonds: 1
MolWt: 138.19 Num_heavy_atoms: 9
TPSA: 17.07 NumAromaticRings: 1

Sugarmoiety
SD00012

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