Glycoside
...
GD095451

Name:
None

Formula:
C19H28O9N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](O)[C@H](n2cc(CN3CCOCC3)nn2)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
C1=C(CN2CCOCC2)N=N[N]1.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 1 FractionCSP3: 0.74
AlogP: -1.2 Num_rotatable_bonds: 7
MolWt: 456.45 Num_heavy_atoms: 32
TPSA: 151.54 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
AD28712
Formula: C7H11ON4

Smiles:
C1=C(CN2CCOCC2)N=N[N]1
HBA: 5 RingCount: 2
HBD: 0 FractionCSP3: 0.71
AlogP: 0.15 Num_rotatable_bonds: 2
MolWt: 167.19 Num_heavy_atoms: 12
TPSA: 51.29 NumAromaticRings: 0

Sugarmoiety
SD00013

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