Glycoside
...
GD108768

Name:
[3,4,5-tris(acetyloxy)-6-[(8-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]oxan-2-yl]methyl acetate

Formula:
C24H24O12S

Smiles:
CC(=O)OC[C@H]1O[C@H](SC2=CC(=O)c3cccc(O)c3C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C1C=C(S)C(=O)c2c(O)cccc21

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 1 FractionCSP3: 0.42
AlogP: 1.47 Num_rotatable_bonds: 7
MolWt: 536.51 Num_heavy_atoms: 37
TPSA: 168.8 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
AD44486
Formula: C10H6O3S

Smiles:
O=C1C=C(S)C(=O)c2c(O)cccc21
HBA: 3 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 1.58 Num_rotatable_bonds: 0
MolWt: 206.22 Num_heavy_atoms: 14
TPSA: 54.37 NumAromaticRings: 1

Sugarmoiety
SD00012

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