Glycoside
...
GD029900

Name:
None

Formula:
C21H29O6N7

Smiles:
CC(=O)NCC=CCN(C)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](OC(C)=O)[C@H]1OC(C)=O

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

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 3 FractionCSP3: 0.52
AlogP: -0.21 Num_rotatable_bonds: 9
MolWt: 475.51 Num_heavy_atoms: 34
TPSA: 163.79 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
AD06413
Formula: C8H16ON2

Smiles:
CC(=O)NCC=CCN(C)C
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 0.62
AlogP: 0.24 Num_rotatable_bonds: 4
MolWt: 156.23 Num_heavy_atoms: 11
TPSA: 32.34 NumAromaticRings: 0

Sugarmoiety
SD00105

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