Glycoside
...
GD110617

Name:
None

Formula:
C29H32O12

Smiles:
CC(=O)OC[C@@H]1O[C@H](O[C@@H]2C(=O)c3ccccc3C(=O)/C2=C\C=C(C)C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CC(C)=CC=C1C(=O)c2ccccc2C(=O)C1O.COC(C)=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 0 FractionCSP3: 0.45
AlogP: 2.43 Num_rotatable_bonds: 8
MolWt: 572.56 Num_heavy_atoms: 41
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
AD38241
Formula: C15H14O3

Smiles:
CC(C)=CC=C1C(=O)c2ccccc2C(=O)C1O
HBA: 3 RingCount: 2
HBD: 1 FractionCSP3: 0.2
AlogP: 2.32 Num_rotatable_bonds: 1
MolWt: 242.27 Num_heavy_atoms: 18
TPSA: 54.37 NumAromaticRings: 1

Sugarmoiety
SD00012

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