Glycoside
...
GD006125

Name:
None

Formula:
C18H21O9N

Smiles:
CC(=O)OC1[C@H](OC(C)=O)[C@@H](Nc2ccc(C(=O)O)cc2)OC[C@H]1OC(C)=O

Aglycone:
Nc1ccc(C(=O)O)cc1

Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 2 FractionCSP3: 0.44
AlogP: 0.95 Num_rotatable_bonds: 6
MolWt: 395.36 Num_heavy_atoms: 28
TPSA: 137.46 NumAromaticRings: 1

Unique Aglycone
AD04803
Formula: C7H7O2N

Smiles:
Nc1ccc(C(=O)O)cc1
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
SD00194

CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O