Glycoside
...
GD109040

Name:
None

Formula:
C29H32O13

Smiles:
COc1ccc(CC(=O)c2ccc(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)cc2O)cc1

Aglycone:
COC(C)=O.COc1ccc(CC(=O)c2ccc(O)cc2O)cc1

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 1 FractionCSP3: 0.41
AlogP: 2.29 Num_rotatable_bonds: 11
MolWt: 588.56 Num_heavy_atoms: 42
TPSA: 170.19 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
AD11169
Formula: C15H14O4

Smiles:
COc1ccc(CC(=O)c2ccc(O)cc2O)cc1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.13
AlogP: 2.53 Num_rotatable_bonds: 4
MolWt: 258.27 Num_heavy_atoms: 19
TPSA: 66.76 NumAromaticRings: 2

Sugarmoiety
SD00012

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