Glycoside
...
GD018540

Name:
LITSEAEFOLOSIDE A

Formula:
C23H26O12

Smiles:
COc1cc(C(=O)OCc2ccc(O[C@@H]3O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]3O)c(O)c2)ccc1O

Aglycone:
COC(C)=O.COc1cc(C(=O)OCc2ccc(O)c(O)c2)ccc1O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 5 FractionCSP3: 0.39
AlogP: 0.21 Num_rotatable_bonds: 8
MolWt: 494.45 Num_heavy_atoms: 35
TPSA: 181.44 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
AD02905
Formula: C15H14O6

Smiles:
COc1cc(C(=O)OCc2ccc(O)c(O)c2)ccc1O
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.13
AlogP: 2.17 Num_rotatable_bonds: 4
MolWt: 290.27 Num_heavy_atoms: 21
TPSA: 96.22 NumAromaticRings: 2

Sugarmoiety
SD00017

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