Glycoside
...
GD135089

Name:
Fraxicarboside C

Formula:
C36H40O18

Smiles:
COC(=O)C1=COC(OC2OC(COC(=O)C=Cc3ccc(O)c(O)c3)C(O)C(OC(C)=O)C2O)C(=CCO)C1CC(=O)OCCc1ccc(O)c(O)c1

Aglycone:
COC(=O)C1=COC(O)C(=CCO)C1CC(=O)OCCc1ccc(O)c(O)c1.COC(=O)C=Cc1ccc(O)c(O)c1

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

Other Identifiers

Properties
HBA: 18 RingCount: 4
HBD: 7 FractionCSP3: 0.39
AlogP: 0.58 Num_rotatable_bonds: 14
MolWt: 760.7 Num_heavy_atoms: 54
TPSA: 274.5 NumAromaticRings: 2

Unique Aglycone
AD03431
Formula: C10H10O4

Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.1
AlogP: 1.28 Num_rotatable_bonds: 2
MolWt: 194.19 Num_heavy_atoms: 14
TPSA: 66.76 NumAromaticRings: 1
AD52099
Formula: C19H22O9

Smiles:
COC(=O)C1=COC(O)C(=CCO)C1CC(=O)OCCc1ccc(O)c(O)c1
HBA: 9 RingCount: 2
HBD: 4 FractionCSP3: 0.37
AlogP: 0.51 Num_rotatable_bonds: 7
MolWt: 394.38 Num_heavy_atoms: 28
TPSA: 142.75 NumAromaticRings: 1

Sugarmoiety
SD01371

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