Glycoside
...
GD013415

Name:
None

Formula:
C13H17O7N3

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1OC(C)=O

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

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 3 FractionCSP3: 0.54
AlogP: -1.42 Num_rotatable_bonds: 4
MolWt: 327.29 Num_heavy_atoms: 23
TPSA: 142.97 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
AD00115
Formula: C4H5ON3

Smiles:
Nc1cc[nH]c(=O)n1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 111.1 Num_heavy_atoms: 8
TPSA: 71.77 NumAromaticRings: 1

Sugarmoiety
SD00772

CC(=O)OC1C(O)OC(O)C1O