Glycoside
...
GD011233

Name:
None

Formula:
C14H19O8N3

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2cc(CO)nn2)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.OCC1=C[N]N=N1

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 1 FractionCSP3: 0.64
AlogP: -0.91 Num_rotatable_bonds: 6
MolWt: 357.32 Num_heavy_atoms: 25
TPSA: 139.07 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
AD02278
Formula: C3H4ON3

Smiles:
OCC1=C[N]N=N1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.33
AlogP: -0.19 Num_rotatable_bonds: 1
MolWt: 98.09 Num_heavy_atoms: 7
TPSA: 59.05 NumAromaticRings: 0

Sugarmoiety
SD00105

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