Glycoside
...
GD106049

Name:
None

Formula:
C22H32O16

Smiles:
CC(=O)OC[C@@H]1O[C@@H](O[C@@]2(CO)O[C@@H](CO)[C@@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O

Aglycone:
COC(C)=O

Sugarmoiety:
CC(=O)OC1C(OC2(CO)OC(CO)C(OC(C)=O)C2OC(C)=O)OC(O)C(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 16 RingCount: 2
HBD: 3 FractionCSP3: 0.77
AlogP: -2.54 Num_rotatable_bonds: 10
MolWt: 552.48 Num_heavy_atoms: 38
TPSA: 219.88 NumAromaticRings: 0

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

Sugarmoiety
SD04151

CC(=O)OC1C(OC2(CO)OC(CO)C(OC(C)=O)C2OC(C)=O)OC(O)C(O)C1OC(C)=O