Glycoside
...
GD021458

Name:
None

Formula:
C26H30O12

Smiles:
CC(=O)OC[C@@H]1O[C@H](CC(=O)C=Cc2ccc(OC(C)=O)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC(=O)C=Cc1ccc(OC(C)=O)cc1.COC(C)=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 0 FractionCSP3: 0.46
AlogP: 1.71 Num_rotatable_bonds: 10
MolWt: 534.51 Num_heavy_atoms: 38
TPSA: 157.8 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
AD06438
Formula: C12H12O3

Smiles:
CC(=O)C=Cc1ccc(OC(C)=O)cc1
HBA: 3 RingCount: 1
HBD: 0 FractionCSP3: 0.17
AlogP: 2.21 Num_rotatable_bonds: 3
MolWt: 204.22 Num_heavy_atoms: 15
TPSA: 43.37 NumAromaticRings: 1

Sugarmoiety
SD00012

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