Glycoside
...
GD102267

Name:
None

Formula:
C18H21O9N5

Smiles:
COC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

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

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 1 FractionCSP3: 0.5
AlogP: 0.33 Num_rotatable_bonds: 6
MolWt: 451.39 Num_heavy_atoms: 32
TPSA: 170.06 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
AD28867
Formula: C7H6O2N5

Smiles:
COC(=O)Nc1ncnc2c1N=C[N]2
HBA: 7 RingCount: 2
HBD: 1 FractionCSP3: 0.14
AlogP: 0.56 Num_rotatable_bonds: 1
MolWt: 192.16 Num_heavy_atoms: 14
TPSA: 90.57 NumAromaticRings: 1

Sugarmoiety
SD00105

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