Glycoside
...
GD097536

Name:
None

Formula:
C21H28O8N6

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

Aglycone:
CN(C)C(=O)CN(C)c1ncnc2c1N=C[N]2.COC(C)=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 0 FractionCSP3: 0.57
AlogP: -0.33 Num_rotatable_bonds: 8
MolWt: 492.49 Num_heavy_atoms: 35
TPSA: 155.28 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
AD41495
Formula: C10H13ON6

Smiles:
CN(C)C(=O)CN(C)c1ncnc2c1N=C[N]2
HBA: 7 RingCount: 2
HBD: 0 FractionCSP3: 0.4
AlogP: -0.09 Num_rotatable_bonds: 3
MolWt: 233.25 Num_heavy_atoms: 17
TPSA: 75.79 NumAromaticRings: 1

Sugarmoiety
SD00105

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