Glycoside
...
GD105201

Name:
None

Formula:
C31H36O13

Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc(OC(C)C)cc3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CC(C)Oc1ccc(CC(=O)c2ccc(O)cc2O)cc1.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 1 FractionCSP3: 0.45
AlogP: 3.07 Num_rotatable_bonds: 12
MolWt: 616.62 Num_heavy_atoms: 44
TPSA: 170.19 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
AD44041
Formula: C17H18O4

Smiles:
CC(C)Oc1ccc(CC(=O)c2ccc(O)cc2O)cc1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.24
AlogP: 3.31 Num_rotatable_bonds: 5
MolWt: 286.33 Num_heavy_atoms: 21
TPSA: 66.76 NumAromaticRings: 2

Sugarmoiety
SD00012

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