Glycoside
...
GD008524

Name:
None

Formula:
C29H32O11

Smiles:
COc1ccc2cc(C=CC(=O)C[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c1

Aglycone:
COC(C)=O.COc1ccc2cc(C=CC(C)=O)ccc2c1

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 0 FractionCSP3: 0.41
AlogP: 2.95 Num_rotatable_bonds: 10
MolWt: 556.56 Num_heavy_atoms: 40
TPSA: 140.73 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
AD06802
Formula: C15H14O2

Smiles:
COc1ccc2cc(C=CC(C)=O)ccc2c1
HBA: 2 RingCount: 2
HBD: 0 FractionCSP3: 0.13
AlogP: 3.45 Num_rotatable_bonds: 3
MolWt: 226.27 Num_heavy_atoms: 17
TPSA: 26.3 NumAromaticRings: 2

Sugarmoiety
SD00012

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