Glycoside
...
GD109406

Name:
None

Formula:
C23H26O10NClS

Smiles:
CC(=O)Nc1cc(Cl)ccc1S[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CC(=O)Nc1cc(Cl)ccc1S.COC(C)=O

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 1 FractionCSP3: 0.5
AlogP: 2.47 Num_rotatable_bonds: 8
MolWt: 531.97 Num_heavy_atoms: 35
TPSA: 143.53 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
AD44543
Formula: C9H8ONClS

Smiles:
CC(=O)Nc1cc(Cl)ccc1S
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.12
AlogP: 2.59 Num_rotatable_bonds: 1
MolWt: 201.68 Num_heavy_atoms: 12
TPSA: 29.1 NumAromaticRings: 1

Sugarmoiety
SD00012

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