Glycoside
...
GD137140

Name:
Fraxicarboside A

Formula:
C34H38O16

Smiles:
COC(=O)C1=COC(OC2OC(COC(=O)C=Cc3ccc(O)cc3)C(O)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)cc1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 4
HBD: 7 FractionCSP3: 0.38
AlogP: 0.31 Num_rotatable_bonds: 13
MolWt: 702.66 Num_heavy_atoms: 50
TPSA: 248.2 NumAromaticRings: 2

Unique Aglycone
AD00020
Formula: C10H10O3

Smiles:
COC(=O)C=Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.1
AlogP: 1.58 Num_rotatable_bonds: 2
MolWt: 178.19 Num_heavy_atoms: 13
TPSA: 46.53 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
SD00017

OC1OC(O)C(O)C(O)C1O