Glycoside
...
GD095820

Name:
None

Formula:
C18H21O9N5

Smiles:
CC(=O)Nc1nc2c(ncn2[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)c(=O)[nH]1

Aglycone:
CC(=O)Nc1nc2c(c(=O)[nH]1)N=C[N]2.COC(C)=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 2 FractionCSP3: 0.5
AlogP: -0.6 Num_rotatable_bonds: 6
MolWt: 451.39 Num_heavy_atoms: 32
TPSA: 180.8 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
AD02712
Formula: C7H6O2N5

Smiles:
CC(=O)Nc1nc2c(c(=O)[nH]1)N=C[N]2
HBA: 7 RingCount: 2
HBD: 2 FractionCSP3: 0.14
AlogP: -0.36 Num_rotatable_bonds: 1
MolWt: 192.16 Num_heavy_atoms: 14
TPSA: 101.31 NumAromaticRings: 1

Sugarmoiety
SD00105

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