Glycoside
...
GD120423

Name:
Littoraloin

Formula:
C28H32O13

Smiles:
CC(=O)OCC1OC(C2(O)c3cccc(O)c3C(=O)c3c(O)cc(COC(=O)C(C)C(C)O)cc32)C(O)C(O)C1O

Aglycone:
CC(O)C(C)C(=O)OCc1cc(O)c2c(c1)C(O)c1cccc(O)c1C2=O.COC(C)=O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 7 FractionCSP3: 0.46
AlogP: -0.65 Num_rotatable_bonds: 7
MolWt: 576.55 Num_heavy_atoms: 41
TPSA: 220.51 NumAromaticRings: 2

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
AD48379
Formula: C20H20O7

Smiles:
CC(O)C(C)C(=O)OCc1cc(O)c2c(c1)C(O)c1cccc(O)c1C2=O
HBA: 7 RingCount: 3
HBD: 4 FractionCSP3: 0.3
AlogP: 1.78 Num_rotatable_bonds: 4
MolWt: 372.37 Num_heavy_atoms: 27
TPSA: 124.29 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O