Glycoside
...
GD083144

Name:
None

Formula:
C17H21O9N3

Smiles:
CC(=O)Nc1ccn([C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c(=O)n1

Aglycone:
CC(=O)Nc1cc[nH]c(=O)n1.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 1 FractionCSP3: 0.53
AlogP: -0.47 Num_rotatable_bonds: 6
MolWt: 411.37 Num_heavy_atoms: 29
TPSA: 152.12 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
AD02279
Formula: C6H7O2N3

Smiles:
CC(=O)Nc1cc[nH]c(=O)n1
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.17
AlogP: -0.27 Num_rotatable_bonds: 1
MolWt: 153.14 Num_heavy_atoms: 11
TPSA: 74.85 NumAromaticRings: 1

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O