Glycoside
...
GD143068

Name:
4-{3-[1-carboxy-2-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethoxy]-3-oxoprop-1-en-1-yl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid

Formula:
C33H32O17

Smiles:
O=C(C=Cc1ccc(O)c2c1C(C(=O)O)C(c1ccc(O)c(O)c1)O2)OC(Cc1ccc(O)c(OC2OC(CO)C(O)C(O)C2O)c1)C(=O)O

Aglycone:
O=C(C=Cc1ccc(O)c2c1C(C(=O)O)C(c1ccc(O)c(O)c1)O2)OC(Cc1ccc(O)c(O)c1)C(=O)O

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

Other Identifiers

Properties
HBA: 17 RingCount: 5
HBD: 10 FractionCSP3: 0.3
AlogP: 0.24 Num_rotatable_bonds: 11
MolWt: 700.6 Num_heavy_atoms: 50
TPSA: 290.43 NumAromaticRings: 3

Unique Aglycone
AD57555
Formula: C27H22O12

Smiles:
O=C(C=Cc1ccc(O)c2c1C(C(=O)O)C(c1ccc(O)c(O)c1)O2)OC(Cc1ccc(O)c(O)c1)C(=O)O
HBA: 12 RingCount: 4
HBD: 7 FractionCSP3: 0.15
AlogP: 2.77 Num_rotatable_bonds: 8
MolWt: 538.46 Num_heavy_atoms: 39
TPSA: 211.28 NumAromaticRings: 3

Sugarmoiety
SD00003

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