Glycoside
...
GD117525

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

Formula:
C25H32O13

Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(CC=O)C1COC(=O)CCc1ccc(O)cc1

Aglycone:
COC(=O)C1=COC(O)C(CC=O)C1COC(=O)CCc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 5 FractionCSP3: 0.56
AlogP: -1.08 Num_rotatable_bonds: 11
MolWt: 540.52 Num_heavy_atoms: 38
TPSA: 198.51 NumAromaticRings: 1

Unique Aglycone
AD46867
Formula: C19H22O8

Smiles:
COC(=O)C1=COC(O)C(CC=O)C1COC(=O)CCc1ccc(O)cc1
HBA: 8 RingCount: 2
HBD: 2 FractionCSP3: 0.42
AlogP: 1.09 Num_rotatable_bonds: 8
MolWt: 378.38 Num_heavy_atoms: 27
TPSA: 119.36 NumAromaticRings: 1

Sugarmoiety
SD00003

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