Glycoside
...
GD034330

Name:
None

Formula:
C27H28O9

Smiles:
COc1ccc(C#Cc2ccc(OC)c([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c2)cc1

Aglycone:
COC(C)=O.COc1ccc(C#Cc2ccc(OC)cc2)cc1

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

Other Identifiers

Properties
HBA: 9 RingCount: 3
HBD: 0 FractionCSP3: 0.37
AlogP: 2.97 Num_rotatable_bonds: 7
MolWt: 496.51 Num_heavy_atoms: 36
TPSA: 106.59 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
AD21832
Formula: C16H14O2

Smiles:
COc1ccc(C#Cc2ccc(OC)cc2)cc1
HBA: 2 RingCount: 2
HBD: 0 FractionCSP3: 0.12
AlogP: 3.1 Num_rotatable_bonds: 2
MolWt: 238.29 Num_heavy_atoms: 18
TPSA: 18.46 NumAromaticRings: 2

Sugarmoiety
SD00105

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