Glycoside
...
GD093070

Name:
None

Formula:
C22H25O9N

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2ccc3ccccc32)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.c1ccc2[nH]ccc2c1

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 0 FractionCSP3: 0.45
AlogP: 1.9 Num_rotatable_bonds: 6
MolWt: 447.44 Num_heavy_atoms: 32
TPSA: 119.36 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
AD05165
Formula: C8H7N

Smiles:
c1ccc2[nH]ccc2c1
HBA: 1 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 2.17 Num_rotatable_bonds: 0
MolWt: 117.15 Num_heavy_atoms: 9
TPSA: 15.79 NumAromaticRings: 2

Sugarmoiety
SD00012

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