Glycoside
...
GD024452

Name:
None

Formula:
C32H36O11

Smiles:
C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1

Aglycone:
C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O)c1.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 1 FractionCSP3: 0.38
AlogP: 3.98 Num_rotatable_bonds: 12
MolWt: 596.63 Num_heavy_atoms: 43
TPSA: 143.89 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD05660
Formula: C18H18O2

Smiles:
C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O)c1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.11
AlogP: 4.22 Num_rotatable_bonds: 5
MolWt: 266.34 Num_heavy_atoms: 20
TPSA: 40.46 NumAromaticRings: 2

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O