Glycoside
...
GD151649

Name:
5-hydroxy-4-(2-hydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyl)benzene-1,3-dicarboxylic acid

Formula:
C21H20O13

Smiles:
O=C(O)c1cc(O)c(C(=O)c2c(O)cccc2OC2OC(CO)C(O)C(O)C2O)c(C(=O)O)c1

Aglycone:
O=C(O)c1cc(O)c(C(=O)c2c(O)cccc2O)c(C(=O)O)c1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 8 FractionCSP3: 0.29
AlogP: -1.1 Num_rotatable_bonds: 7
MolWt: 480.38 Num_heavy_atoms: 34
TPSA: 231.51 NumAromaticRings: 2

Unique Aglycone
AD60454
Formula: C15H10O8

Smiles:
O=C(O)c1cc(O)c(C(=O)c2c(O)cccc2O)c(C(=O)O)c1
HBA: 8 RingCount: 2
HBD: 5 FractionCSP3: 0.0
AlogP: 1.43 Num_rotatable_bonds: 4
MolWt: 318.24 Num_heavy_atoms: 23
TPSA: 152.36 NumAromaticRings: 2

Sugarmoiety
SD00003

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