Glycoside
...
GD100693

Name:
None

Formula:
C21H25O11N

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ccccc2C(=O)O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1ccccc1C(=O)O

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 2 FractionCSP3: 0.48
AlogP: 0.88 Num_rotatable_bonds: 8
MolWt: 467.43 Num_heavy_atoms: 33
TPSA: 163.76 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
AD11856
Formula: C7H7O2N

Smiles:
Nc1ccccc1C(=O)O
HBA: 3 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: 0.97 Num_rotatable_bonds: 1
MolWt: 137.14 Num_heavy_atoms: 10
TPSA: 63.32 NumAromaticRings: 1

Sugarmoiety
SD00889

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