Glycoside
...
GD129615

Name:
4-{7-[3,5-dihydroxy-4,6-bis(hydroxymethyl)oxan-2-yl]-4,7-dihydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyl]-6-oxo-2-(1,2,3,4-tetrahydroxybutyl)-2,3,6,7-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:
C49H54O26

Smiles:
O=C(C=Cc1ccc(O)cc1)C1=C(O)C2=C(OC(C(O)C(O)C(O)CO)C2C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(=O)C(=C(O)C=Cc3ccc(O)cc3)C2=O)C(O)(C2OC(CO)C(O)C(CO)C2O)C1=O

Aglycone:
O=C(C=Cc1ccc(O)cc1)C1=C(O)C2=C(OCC2C2=C(O)C(O)C(=O)C(=C(O)C=Cc3ccc(O)cc3)C2=O)C(O)(C2OC(CO)C(O)C(CO)C2O)C1=O

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

Other Identifiers

Properties
HBA: 26 RingCount: 7
HBD: 19 FractionCSP3: 0.43
AlogP: -5.7 Num_rotatable_bonds: 15
MolWt: 1058.95 Num_heavy_atoms: 75
TPSA: 480.34 NumAromaticRings: 2

Unique Aglycone
AD52504
Formula: C39H36O17

Smiles:
O=C(C=Cc1ccc(O)cc1)C1=C(O)C2=C(OCC2C2=C(O)C(O)C(=O)C(=C(O)C=Cc3ccc(O)cc3)C2=O)C(O)(C2OC(CO)C(O)C(CO)C2O)C1=O
HBA: 17 RingCount: 6
HBD: 11 FractionCSP3: 0.28
AlogP: -0.35 Num_rotatable_bonds: 9
MolWt: 776.7 Num_heavy_atoms: 56
TPSA: 309.27 NumAromaticRings: 2

Sugarmoiety
SD07117

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