Glycoside
...
GD136876

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}-6-(6-ethyl-3,4,5-trihydroxyoxan-2-yl)-5,6-dihydroxy-2-[1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]cyclohex-4-ene-1,3-dione

Formula:
C49H54O25

Smiles:
CCC1OC(C2(O)C(=O)C(=C(O)C=Cc3ccc(O)cc3)C(=O)C(C3C4=C(OC3C(O)C(O)C(O)CO)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)C=Cc3ccc(O)cc3)C4=O)=C2O)C(O)C(O)C1O

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:
CCC1OC(O)C(O)C(O)C1O.OCC(O)C(O)C(O)O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 7
HBD: 18 FractionCSP3: 0.43
AlogP: -4.53 Num_rotatable_bonds: 14
MolWt: 1042.95 Num_heavy_atoms: 74
TPSA: 460.11 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
SD08111

CCC1OC(O)C(O)C(O)C1O.OCC(O)C(O)C(O)O.OCC1OC(O)C(O)C(O)C1O