Glycoside
...
GD017342

Name:
None

Formula:
C24H28O11

Smiles:
CC(=O)OC[C@@H]1O[C@H](CC(=O)C=Cc2cccc(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC(=O)C=Cc1cccc(O)c1.COC(C)=O

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 1 FractionCSP3: 0.46
AlogP: 1.49 Num_rotatable_bonds: 9
MolWt: 492.48 Num_heavy_atoms: 35
TPSA: 151.73 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
AD12380
Formula: C10H10O2

Smiles:
CC(=O)C=Cc1cccc(O)c1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.1
AlogP: 1.99 Num_rotatable_bonds: 2
MolWt: 162.19 Num_heavy_atoms: 12
TPSA: 37.3 NumAromaticRings: 1

Sugarmoiety
SD00012

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