Glycoside
...
GD024801

Name:
None

Formula:
C28H30O10

Smiles:
CC(=O)OC[C@@H]1O[C@H](CC(=O)C=Cc2ccc3ccccc3c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC(=O)C=Cc1ccc2ccccc2c1.COC(C)=O

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 0 FractionCSP3: 0.39
AlogP: 2.94 Num_rotatable_bonds: 9
MolWt: 526.54 Num_heavy_atoms: 38
TPSA: 131.5 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
AD09707
Formula: C14H12O

Smiles:
CC(=O)C=Cc1ccc2ccccc2c1
HBA: 1 RingCount: 2
HBD: 0 FractionCSP3: 0.07
AlogP: 3.44 Num_rotatable_bonds: 2
MolWt: 196.25 Num_heavy_atoms: 15
TPSA: 17.07 NumAromaticRings: 2

Sugarmoiety
SD00012

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