Glycoside
...
GD139475

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

Formula:
C24H32O14

Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(CO)C1CC(=O)OCCc1ccc(O)c(O)c1

Aglycone:
COC(=O)C1=COC(O)C(CO)C1CC(=O)OCCc1ccc(O)c(O)c1

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 7 FractionCSP3: 0.58
AlogP: -1.97 Num_rotatable_bonds: 10
MolWt: 544.51 Num_heavy_atoms: 38
TPSA: 221.9 NumAromaticRings: 1

Unique Aglycone
AD56240
Formula: C18H22O9

Smiles:
COC(=O)C1=COC(O)C(CO)C1CC(=O)OCCc1ccc(O)c(O)c1
HBA: 9 RingCount: 2
HBD: 4 FractionCSP3: 0.44
AlogP: 0.2 Num_rotatable_bonds: 7
MolWt: 382.37 Num_heavy_atoms: 27
TPSA: 142.75 NumAromaticRings: 1

Sugarmoiety
SD00003

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