Glycoside
...
GD121244

Name:
2-{[3-(6-ethyl-3,4,5-trihydroxyoxan-2-yl)-2,3,4-trihydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyl]-6-oxocyclohexa-1,4-dien-1-yl]methylidene}-5,6-dihydroxy-4-[3-(4-hydroxyphenyl)prop-2-enoyl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione

Formula:
C44H44O21

Smiles:
CCC1OC(C2(O)C(O)=C(C=C3C(=O)C(C(=O)C=Cc4ccc(O)cc4)=C(O)C(O)(C4OC(CO)C(O)C(O)C4O)C3=O)C(=O)C(C(=O)C=Cc3ccc(O)cc3)=C2O)C(O)C(O)C1O

Aglycone:
O=C(C=Cc1ccc(O)cc1)C1=C(O)C(O)C(=O)C(=CC2=C(O)C(O)C(O)=C(C(=O)C=Cc3ccc(O)cc3)C2=O)C1=O

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

Other Identifiers

Properties
HBA: 21 RingCount: 6
HBD: 14 FractionCSP3: 0.34
AlogP: -2.38 Num_rotatable_bonds: 11
MolWt: 908.82 Num_heavy_atoms: 65
TPSA: 387.03 NumAromaticRings: 2

Unique Aglycone
AD48784
Formula: C31H22O12

Smiles:
O=C(C=Cc1ccc(O)cc1)C1=C(O)C(O)C(=O)C(=CC2=C(O)C(O)C(O)=C(C(=O)C=Cc3ccc(O)cc3)C2=O)C1=O
HBA: 12 RingCount: 4
HBD: 7 FractionCSP3: 0.06
AlogP: 1.78 Num_rotatable_bonds: 7
MolWt: 586.51 Num_heavy_atoms: 43
TPSA: 226.96 NumAromaticRings: 2

Sugarmoiety
SD05783

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