Glycoside
...
GD104409

Name:
None

Formula:
C23H30O10

Smiles:
CC(=O)OC[C@@H]1O[C@@H](OCCCc2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.OCCCc1ccccc1

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

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 0 FractionCSP3: 0.57
AlogP: 1.72 Num_rotatable_bonds: 10
MolWt: 466.48 Num_heavy_atoms: 33
TPSA: 123.66 NumAromaticRings: 1

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
AD01225
Formula: C9H12O

Smiles:
OCCCc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.33
AlogP: 1.61 Num_rotatable_bonds: 3
MolWt: 136.19 Num_heavy_atoms: 10
TPSA: 20.23 NumAromaticRings: 1

Sugarmoiety
SD00012

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