Glycoside
...
GD111114

Name:
None

Formula:
C22H22O9Cl2S

Smiles:
CC(=O)OC[C@@H]1O[C@@H](Sc2cc(Cl)ccc2Cl)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Sc1cc(Cl)ccc1Cl

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

Other Identifiers

Properties
HBA: 9 RingCount: 2
HBD: 0 FractionCSP3: 0.5
AlogP: 3.17 Num_rotatable_bonds: 7
MolWt: 509.36 Num_heavy_atoms: 32
TPSA: 114.43 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
AD30281
Formula: C8H4Cl2S

Smiles:
Sc1cc(Cl)ccc1Cl
HBA: 0 RingCount: 1
HBD: 0 FractionCSP3: 0.0
AlogP: 3.28 Num_rotatable_bonds: 0
MolWt: 179.07 Num_heavy_atoms: 9
TPSA: 0.0 NumAromaticRings: 1

Sugarmoiety
SD00012

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