Glycoside
...
GD128057

Name:
2-{2,3,6-trihydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyl]-4-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-1,5-dien-1-yl}-2-{2,3,4-trihydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyl]-6-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-1,4-dien-1-yl}acetic acid

Formula:
C44H44O24

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

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

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

Other Identifiers

Properties
HBA: 24 RingCount: 6
HBD: 17 FractionCSP3: 0.34
AlogP: -3.78 Num_rotatable_bonds: 13
MolWt: 956.81 Num_heavy_atoms: 68
TPSA: 447.72 NumAromaticRings: 2

Unique Aglycone
AD51876
Formula: C32H24O14

Smiles:
O=C(C=Cc1ccc(O)cc1)C1=C(O)C(C(C(=O)O)C2=C(O)C(O)C(O)=C(C(=O)C=Cc3ccc(O)cc3)C2=O)=C(O)C(O)C1=O
HBA: 14 RingCount: 4
HBD: 9 FractionCSP3: 0.09
AlogP: 1.8 Num_rotatable_bonds: 9
MolWt: 632.53 Num_heavy_atoms: 46
TPSA: 267.42 NumAromaticRings: 2

Sugarmoiety
SD00019

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