Glycoside
...
GD104408

Name:
None

Formula:
C23H28O12

Smiles:
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1O[C@@H](Oc2ccccc2)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC(=O)OCC(COC(C)=O)OC(C)=O.Oc1ccccc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 0 FractionCSP3: 0.52
AlogP: 1.08 Num_rotatable_bonds: 10
MolWt: 496.47 Num_heavy_atoms: 35
TPSA: 149.96 NumAromaticRings: 1

Unique Aglycone
AD01349
Formula: C6H6O

Smiles:
Oc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.39 Num_rotatable_bonds: 0
MolWt: 94.11 Num_heavy_atoms: 7
TPSA: 20.23 NumAromaticRings: 1
AD43987
Formula: C9H14O6

Smiles:
CC(=O)OCC(COC(C)=O)OC(C)=O
HBA: 6 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.04 Num_rotatable_bonds: 5
MolWt: 218.2 Num_heavy_atoms: 15
TPSA: 78.9 NumAromaticRings: 0

Sugarmoiety
SD00105

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