Glycoside
...
GD027802

Name:
None

Formula:
C19H27O5N7

Smiles:
CC(=O)OC1C(CN(C)CC=CCN)OC(n2cnc3c(N)ncnc32)C1OC(C)=O

Aglycone:
CN(C)CC=CCN.Nc1ncnc2c1N=C[N]2

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 4 FractionCSP3: 0.53
AlogP: -0.38 Num_rotatable_bonds: 8
MolWt: 433.47 Num_heavy_atoms: 31
TPSA: 160.71 NumAromaticRings: 2

Unique Aglycone
AD00058
Formula: C5H4N5

Smiles:
Nc1ncnc2c1N=C[N]2
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
AD04213
Formula: C6H14N2

Smiles:
CN(C)CC=CCN
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 0.67
AlogP: 0.06 Num_rotatable_bonds: 3
MolWt: 114.19 Num_heavy_atoms: 8
TPSA: 29.26 NumAromaticRings: 0

Sugarmoiety
SD00105

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