Glycoside
...
GD012100

Name:
None

Formula:
C21H24O11

Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2ccccc2C=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=Cc1ccccc1O

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 0 FractionCSP3: 0.48
AlogP: 0.96 Num_rotatable_bonds: 8
MolWt: 452.41 Num_heavy_atoms: 32
TPSA: 140.73 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
AD05242
Formula: C7H6O2

Smiles:
O=Cc1ccccc1O
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.2 Num_rotatable_bonds: 1
MolWt: 122.12 Num_heavy_atoms: 9
TPSA: 37.3 NumAromaticRings: 1

Sugarmoiety
SD00012

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