Glycoside
...
GD086187

Name:
None

Formula:
C22H24O6N2

Smiles:
CC(=O)O[C@H](C(=O)Nc1ccc(C)cc1)[C@H](OC(C)=O)C(=O)Nc1ccc(C)cc1

Aglycone:
Cc1ccc(N)cc1.Cc1ccc(N)cc1

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

Other Identifiers

Properties
HBA: 8 RingCount: 2
HBD: 2 FractionCSP3: 0.27
AlogP: 2.74 Num_rotatable_bonds: 7
MolWt: 412.44 Num_heavy_atoms: 30
TPSA: 110.8 NumAromaticRings: 2

Unique Aglycone
AD10535
Formula: C7H9N

Smiles:
Cc1ccc(N)cc1
HBA: 1 RingCount: 1
HBD: 2 FractionCSP3: 0.14
AlogP: 1.58 Num_rotatable_bonds: 0
MolWt: 107.16 Num_heavy_atoms: 8
TPSA: 26.02 NumAromaticRings: 1

Sugarmoiety
SD03796

CC(=O)OC(C(=O)O)C(OC(C)=O)C(=O)O