Glycoside
...
GD130874

Name:
3-{2,3-dihydroxy-5-[1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]-6-methylidene-4-oxo-3-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]cyclohexyl}-6,7-dihydroxy-5-[4-(4-hydroxyphenyl)buta-1,3-dien-2-yl]-2-(1,2,3,4-tetrahydroxybutyl)-7-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-2,3,4,7-tetrahydro-1-benzofuran-4-one

Formula:
C50H58O26

Smiles:
C=C(C=Cc1ccc(O)cc1)C1=C(O)C(O)(OCC2OC(O)C(O)C(O)C2O)C2=C(C1=O)C(C1C(=C)C(=C(O)C=Cc3ccc(O)cc3)C(=O)C(O)(OCC3OC(O)C(O)C(O)C3O)C1O)C(C(O)C(O)C(O)CO)O2

Aglycone:
C=C(C=Cc1ccc(O)cc1)C1=C(O)C(O)(OC)C2=C(C1=O)C(C1C(=C)C(=C(O)C=Cc3ccc(O)cc3)C(=O)C(O)(OC)C1O)CO2

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O.OCC(O)C(O)C(O)O

Other Identifiers

Properties
HBA: 26 RingCount: 7
HBD: 19 FractionCSP3: 0.44
AlogP: -4.94 Num_rotatable_bonds: 16
MolWt: 1074.99 Num_heavy_atoms: 76
TPSA: 464.66 NumAromaticRings: 2

Unique Aglycone
AD53031
Formula: C36H34O12

Smiles:
C=C(C=Cc1ccc(O)cc1)C1=C(O)C(O)(OC)C2=C(C1=O)C(C1C(=C)C(=C(O)C=Cc3ccc(O)cc3)C(=O)C(O)(OC)C1O)CO2
HBA: 12 RingCount: 5
HBD: 7 FractionCSP3: 0.22
AlogP: 3.27 Num_rotatable_bonds: 8
MolWt: 658.66 Num_heavy_atoms: 48
TPSA: 203.44 NumAromaticRings: 2

Sugarmoiety
SD07288

OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O.OCC(O)C(O)C(O)O