Glycoside
...
GD033024

Name:
PINORESINOL-4'-O-[6'-O-(E)-FERULOYL]-BETA-D-GLUCOPYRANOSIDE

Formula:
C36H40O14

Smiles:
COc1cc(C=CC(=O)OC[C@@H]2O[C@H](Oc3ccc([C@@H]4OC[C@@H]5[C@H]4CO[C@H]5c4ccc(O)c(OC)c4)cc3OC)[C@H](O)[C@H](O)[C@H]2O)ccc1O

Aglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.COc1cc(C2OCC3C(c4ccc(O)c(OC)c4)OCC23)ccc1O

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

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 5 FractionCSP3: 0.42
AlogP: 2.64 Num_rotatable_bonds: 11
MolWt: 696.7 Num_heavy_atoms: 50
TPSA: 192.06 NumAromaticRings: 3

Unique Aglycone
AD00132
Formula: C11H12O4

Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.18
AlogP: 1.59 Num_rotatable_bonds: 3
MolWt: 208.21 Num_heavy_atoms: 15
TPSA: 55.76 NumAromaticRings: 1
AD02760
Formula: C20H22O6

Smiles:
COc1cc(C2OCC3C(c4ccc(O)c(OC)c4)OCC23)ccc1O
HBA: 6 RingCount: 4
HBD: 2 FractionCSP3: 0.4
AlogP: 3.19 Num_rotatable_bonds: 4
MolWt: 358.39 Num_heavy_atoms: 26
TPSA: 77.38 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O