Glycoside
...
GD151201

Name:
4-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-hydroxy-2-(3,4,5-trihydroxybenzoyloxy)butanoic acid

Formula:
C20H18O12

Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OCC(O)C(OC(=O)c1cc(O)c(O)c(O)c1)C(=O)O

Aglycone:
O=CC=Cc1ccc(O)c(O)c1.O=Cc1cc(O)c(O)c(O)c1

Sugarmoiety:
O=C(O)C(OO)C(O)COO

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 7 FractionCSP3: 0.15
AlogP: 0.44 Num_rotatable_bonds: 8
MolWt: 450.35 Num_heavy_atoms: 32
TPSA: 211.28 NumAromaticRings: 2

Unique Aglycone
AD02035
Formula: C7H6O4

Smiles:
O=Cc1cc(O)c(O)c(O)c1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: 0.62 Num_rotatable_bonds: 1
MolWt: 154.12 Num_heavy_atoms: 11
TPSA: 77.76 NumAromaticRings: 1
AD03296
Formula: C9H8O3

Smiles:
O=CC=Cc1ccc(O)c(O)c1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.31 Num_rotatable_bonds: 2
MolWt: 164.16 Num_heavy_atoms: 12
TPSA: 57.53 NumAromaticRings: 1

Sugarmoiety
SD03082

O=C(O)C(OO)C(O)COO