Glycoside
...
GD108763

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

Formula:
C26H26O13S

Smiles:
CC(=O)OC[C@H]1O[C@@H](SC2=C(OC(C)=O)C(=O)c3ccccc3C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CC(=O)OC1=C(S)C(=O)c2ccccc2C1=O.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 0 FractionCSP3: 0.42
AlogP: 1.66 Num_rotatable_bonds: 8
MolWt: 578.55 Num_heavy_atoms: 40
TPSA: 174.87 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
AD44483
Formula: C12H8O4S

Smiles:
CC(=O)OC1=C(S)C(=O)c2ccccc2C1=O
HBA: 4 RingCount: 2
HBD: 0 FractionCSP3: 0.08
AlogP: 1.77 Num_rotatable_bonds: 1
MolWt: 248.26 Num_heavy_atoms: 17
TPSA: 60.44 NumAromaticRings: 1

Sugarmoiety
SD00012

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