Glycoside
...
GD021844

Name:
None

Formula:
C14H26O9

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

Aglycone:
COC(=O)CC(C)C.OCC(O)CO

Sugarmoiety:
OCC(CO)OC(O)C(O)O

Other Identifiers

Properties
HBA: 9 RingCount: 1
HBD: 5 FractionCSP3: 0.93
AlogP: -2.25 Num_rotatable_bonds: 8
MolWt: 338.35 Num_heavy_atoms: 23
TPSA: 145.91 NumAromaticRings: 0

Unique Aglycone
AD00405
Formula: C3H8O3

Smiles:
OCC(O)CO
HBA: 3 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: -1.67 Num_rotatable_bonds: 2
MolWt: 92.09 Num_heavy_atoms: 6
TPSA: 60.69 NumAromaticRings: 0
AD01663
Formula: C6H12O2

Smiles:
COC(=O)CC(C)C
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.83
AlogP: 1.21 Num_rotatable_bonds: 2
MolWt: 116.16 Num_heavy_atoms: 8
TPSA: 26.3 NumAromaticRings: 0

Sugarmoiety
SD01952

OCC(CO)OC(O)C(O)O