Glycoside
...
GD123599

Name:
4-{6,7-dihydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyl]-4-oxo-2-(1,2,3,4-tetrahydroxybutyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3,4,7-tetrahydro-1-benzofuran-3-yl}-5,6-dihydroxy-2-[1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione

Formula:
C48H52O26

Smiles:
O=C(C=Cc1ccc(O)cc1)C1=C(O)C(O)(C2OC(CO)C(O)C(O)C2O)C2=C(C1=O)C(C1=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(=O)C(=C(O)C=Cc3ccc(O)cc3)C1=O)C(C(O)C(O)C(O)CO)O2

Aglycone:
O=C(C=Cc1ccc(O)cc1)C1=C(O)C(O)C2=C(C1=O)C(C1=C(O)C(O)C(=O)C(=C(O)C=Cc3ccc(O)cc3)C1=O)CO2

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

Other Identifiers

Properties
HBA: 26 RingCount: 7
HBD: 19 FractionCSP3: 0.42
AlogP: -5.94 Num_rotatable_bonds: 14
MolWt: 1044.92 Num_heavy_atoms: 74
TPSA: 480.34 NumAromaticRings: 2

Unique Aglycone
AD49894
Formula: C32H24O12

Smiles:
O=C(C=Cc1ccc(O)cc1)C1=C(O)C(O)C2=C(C1=O)C(C1=C(O)C(O)C(=O)C(=C(O)C=Cc3ccc(O)cc3)C1=O)CO2
HBA: 12 RingCount: 5
HBD: 7 FractionCSP3: 0.12
AlogP: 2.19 Num_rotatable_bonds: 6
MolWt: 600.53 Num_heavy_atoms: 44
TPSA: 219.12 NumAromaticRings: 2

Sugarmoiety
SD03282

OCC(O)C(O)C(O)O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O