Glycoside
...
GD067798

Name:
3-hydroxy-2-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-3-(methoxycarbonyl)pentanedioic acid

Formula:
C16H16O10

Smiles:
COC(=O)[C@@](O)(CC(=O)O)[C@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)O

Aglycone:
O=CC=Cc1ccc(O)cc1

Sugarmoiety:
COC(=O)C(O)(CC(=O)O)C(OO)C(=O)O

Other Identifiers

Properties
HBA: 10 RingCount: 1
HBD: 4 FractionCSP3: 0.25
AlogP: -0.22 Num_rotatable_bonds: 8
MolWt: 368.29 Num_heavy_atoms: 26
TPSA: 167.66 NumAromaticRings: 1

Unique Aglycone
AD03800
Formula: C9H8O2

Smiles:
O=CC=Cc1ccc(O)cc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.6 Num_rotatable_bonds: 2
MolWt: 148.16 Num_heavy_atoms: 11
TPSA: 37.3 NumAromaticRings: 1

Sugarmoiety
SD03970

COC(=O)C(O)(CC(=O)O)C(OO)C(=O)O