Glycoside
...
GD076851

Name:
None

Formula:
C16H19O7N5

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cnc3cnc(N)nc32)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1ncc2c(n1)[N]C=N2

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 2 FractionCSP3: 0.5
AlogP: -0.27 Num_rotatable_bonds: 5
MolWt: 393.36 Num_heavy_atoms: 28
TPSA: 157.75 NumAromaticRings: 2

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
AD13880
Formula: C5H4N5

Smiles:
Nc1ncc2c(n1)[N]C=N2
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: -0.03 Num_rotatable_bonds: 0
MolWt: 134.12 Num_heavy_atoms: 10
TPSA: 78.26 NumAromaticRings: 1

Sugarmoiety
SD00105

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