Glycoside
...
GD108002

Name:
None

Formula:
C25H27O12NCl2

Smiles:
COC(=O)CO[C@@H]1[C@H](NC(=O)COc2ccc(Cl)cc2Cl)[C@H](OC(C)=O)O[C@@H](COC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(=O)CO.COC(C)=O.NC(=O)COc1ccc(Cl)cc1Cl

Sugarmoiety:
CC(=O)OCC1OOC(O)C(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 1 FractionCSP3: 0.52
AlogP: 1.2 Num_rotatable_bonds: 11
MolWt: 580.37 Num_heavy_atoms: 38
TPSA: 161.99 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
AD09952
Formula: C3H6O3

Smiles:
COC(=O)CO
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: -0.85 Num_rotatable_bonds: 1
MolWt: 90.08 Num_heavy_atoms: 6
TPSA: 46.53 NumAromaticRings: 0
AD12123
Formula: C10H7O2NCl2

Smiles:
NC(=O)COc1ccc(Cl)cc1Cl
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.12
AlogP: 1.86 Num_rotatable_bonds: 3
MolWt: 220.05 Num_heavy_atoms: 13
TPSA: 52.32 NumAromaticRings: 1

Sugarmoiety
SD04113

CC(=O)OCC1OOC(O)C(O)C1OC(C)=O