Glycoside
...
GD099992

Name:
None

Formula:
C22H27O10N

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@@H](NC(=O)Cc2ccccc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(=O)Cc1ccccc1

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 1 FractionCSP3: 0.5
AlogP: 0.43 Num_rotatable_bonds: 8
MolWt: 465.46 Num_heavy_atoms: 33
TPSA: 143.53 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
AD00691
Formula: C8H9ON

Smiles:
NC(=O)Cc1ccccc1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.12
AlogP: 0.71 Num_rotatable_bonds: 2
MolWt: 135.17 Num_heavy_atoms: 10
TPSA: 43.09 NumAromaticRings: 1

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O