Glycoside
...
GD142052

Name:
4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-(2-hydroxyethylidene)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acid

Formula:
C24H30O14

Smiles:
O=C(CC1C(C(=O)O)=COC(OC2OC(CO)C(O)C(O)C2O)C1=CCO)OCCc1ccc(O)c(O)c1

Aglycone:
O=C(CC1C(C(=O)O)=COC(O)C1=CCO)OCCc1ccc(O)c(O)c1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 8 FractionCSP3: 0.5
AlogP: -1.75 Num_rotatable_bonds: 10
MolWt: 542.49 Num_heavy_atoms: 38
TPSA: 232.9 NumAromaticRings: 1

Unique Aglycone
AD57182
Formula: C18H20O9

Smiles:
O=C(CC1C(C(=O)O)=COC(O)C1=CCO)OCCc1ccc(O)c(O)c1
HBA: 9 RingCount: 2
HBD: 5 FractionCSP3: 0.33
AlogP: 0.43 Num_rotatable_bonds: 7
MolWt: 380.35 Num_heavy_atoms: 27
TPSA: 153.75 NumAromaticRings: 1

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O