Glycoside
...
GD031302

Name:
None

Formula:
C22H25O9N7

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2nnnc2Cn2nnc3ccccc32)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.c1ccc2c(c1)nnn2CC1=NN=N[N]1

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

Other Identifiers

Properties
HBA: 16 RingCount: 4
HBD: 0 FractionCSP3: 0.5
AlogP: -0.28 Num_rotatable_bonds: 8
MolWt: 531.48 Num_heavy_atoms: 38
TPSA: 188.74 NumAromaticRings: 3

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
AD17670
Formula: C8H6N7

Smiles:
c1ccc2c(c1)nnn2CC1=NN=N[N]1
HBA: 7 RingCount: 3
HBD: 0 FractionCSP3: 0.12
AlogP: 0.73 Num_rotatable_bonds: 2
MolWt: 200.19 Num_heavy_atoms: 15
TPSA: 81.89 NumAromaticRings: 2

Sugarmoiety
SD00012

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