Glycoside
...
GD006559

Name:
None

Formula:
C16H21O6N7

Smiles:
CNC(=O)NC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CNC(=O)NC.Nc1ncnc2c1N=C[N]2

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 4 FractionCSP3: 0.5
AlogP: -0.9 Num_rotatable_bonds: 5
MolWt: 407.39 Num_heavy_atoms: 29
TPSA: 172.58 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
AD01593
Formula: C3H8ON2

Smiles:
CNC(=O)NC
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.67
AlogP: -0.45 Num_rotatable_bonds: 0
MolWt: 88.11 Num_heavy_atoms: 6
TPSA: 41.13 NumAromaticRings: 0

Sugarmoiety
SD00105

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