Glycoside
...
GD096170

Name:
None

Formula:
C20H24O9N6

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cc(Nc3nccnc3CN)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.NCc1nccnc1Nc1c[nH]c(=O)[nH]c1=O

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

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 4 FractionCSP3: 0.45
AlogP: -1.15 Num_rotatable_bonds: 8
MolWt: 492.45 Num_heavy_atoms: 35
TPSA: 206.82 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
AD40909
Formula: C9H10O2N6

Smiles:
NCc1nccnc1Nc1c[nH]c(=O)[nH]c1=O
HBA: 8 RingCount: 2
HBD: 5 FractionCSP3: 0.11
AlogP: -0.94 Num_rotatable_bonds: 3
MolWt: 234.22 Num_heavy_atoms: 17
TPSA: 129.55 NumAromaticRings: 2

Sugarmoiety
SD00105

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