Glycoside
...
GD149343

Name:
2-(3-hydroxy-5-{4-[6-hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzofuran-3-yl}phenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C54H52O19

Smiles:
OCC1OC(Oc2cc(O)cc(C3c4c(cc(OC5OC(CO)C(O)C(O)C5O)cc4C4c5c(C=Cc6ccc(O)cc6)cc(O)cc5OC4c4ccc(O)cc4)OC3c3ccc(O)cc3)c2)C(O)C(O)C1O

Aglycone:
Oc1ccc(C=Cc2cc(O)cc3c2C(c2cc(O)cc4c2C(c2cc(O)cc(O)c2)C(c2ccc(O)cc2)O4)C(c2ccc(O)cc2)O3)cc1

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

Other Identifiers

Properties
HBA: 19 RingCount: 10
HBD: 13 FractionCSP3: 0.3
AlogP: 3.27 Num_rotatable_bonds: 12
MolWt: 1004.99 Num_heavy_atoms: 73
TPSA: 318.37 NumAromaticRings: 6

Unique Aglycone
AD49160
Formula: C42H32O9

Smiles:
Oc1ccc(C=Cc2cc(O)cc3c2C(c2cc(O)cc4c2C(c2cc(O)cc(O)c2)C(c2ccc(O)cc2)O4)C(c2ccc(O)cc2)O3)cc1
HBA: 9 RingCount: 8
HBD: 7 FractionCSP3: 0.1
AlogP: 8.33 Num_rotatable_bonds: 6
MolWt: 680.71 Num_heavy_atoms: 51
TPSA: 160.07 NumAromaticRings: 6

Sugarmoiety
SD00019

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