Glycoside
...
GD027485

Name:
None

Formula:
C17H24O8N6

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2cc(C(N)=O)c(N=NN(C)C)n2)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CN(C)N=NC1=N[N]C=C1C(N)=O.COC(C)=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 2 FractionCSP3: 0.59
AlogP: -0.13 Num_rotatable_bonds: 8
MolWt: 440.41 Num_heavy_atoms: 31
TPSA: 177.0 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
AD18062
Formula: C6H9ON6

Smiles:
CN(C)N=NC1=N[N]C=C1C(N)=O
HBA: 7 RingCount: 1
HBD: 2 FractionCSP3: 0.33
AlogP: -0.78 Num_rotatable_bonds: 2
MolWt: 181.18 Num_heavy_atoms: 13
TPSA: 97.51 NumAromaticRings: 0

Sugarmoiety
SD00105

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