Glycoside
...
GD109688

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

Formula:
C25H23O11ClS

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

Aglycone:
COC(C)=O.O=C1C(S)=C(Cl)C(=O)c2ccccc21

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 0 FractionCSP3: 0.42
AlogP: 2.33 Num_rotatable_bonds: 7
MolWt: 554.96 Num_heavy_atoms: 37
TPSA: 148.57 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
AD44571
Formula: C11H5O2ClS

Smiles:
O=C1C(S)=C(Cl)C(=O)c2ccccc21
HBA: 2 RingCount: 2
HBD: 0 FractionCSP3: 0.0
AlogP: 2.45 Num_rotatable_bonds: 0
MolWt: 224.67 Num_heavy_atoms: 14
TPSA: 34.14 NumAromaticRings: 1

Sugarmoiety
SD00012

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