Glycoside
...
GD032538

Name:
None

Formula:
C26H30O8

Smiles:
CC(=O)OC[C@@H]1O[C@H](Cc2ccccc2)[C@H](OC(C)=O)[C@H](OCc2ccccc2)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Cc1ccccc1.OCc1ccccc1

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 8 RingCount: 3
HBD: 0 FractionCSP3: 0.42
AlogP: 3.01 Num_rotatable_bonds: 9
MolWt: 470.52 Num_heavy_atoms: 34
TPSA: 97.36 NumAromaticRings: 2

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
AD00044
Formula: C7H8O

Smiles:
OCc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD00274
Formula: C7H8

Smiles:
Cc1ccccc1
HBA: 0 RingCount: 1
HBD: 0 FractionCSP3: 0.14
AlogP: 2.0 Num_rotatable_bonds: 0
MolWt: 92.14 Num_heavy_atoms: 7
TPSA: 0.0 NumAromaticRings: 1

Sugarmoiety
SD01061

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1O