Glycoside
...
GD099902

Name:
None

Formula:
C21H25O10N

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@@H](NC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(=O)c1ccccc1

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 1 FractionCSP3: 0.48
AlogP: 0.5 Num_rotatable_bonds: 7
MolWt: 451.43 Num_heavy_atoms: 32
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
AD01413
Formula: C7H7ON

Smiles:
NC(=O)c1ccccc1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 0.79 Num_rotatable_bonds: 1
MolWt: 121.14 Num_heavy_atoms: 9
TPSA: 43.09 NumAromaticRings: 1

Sugarmoiety
SD00889

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