Glycoside
...
GD076623

Name:
None

Formula:
C16H18O8N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=c1[nH]cnc2c1N=C[N]2

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 1 FractionCSP3: 0.5
AlogP: -0.56 Num_rotatable_bonds: 5
MolWt: 394.34 Num_heavy_atoms: 28
TPSA: 151.7 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
AD01144
Formula: C5H3ON4

Smiles:
O=c1[nH]cnc2c1N=C[N]2
HBA: 5 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: -0.32 Num_rotatable_bonds: 0
MolWt: 135.11 Num_heavy_atoms: 10
TPSA: 72.21 NumAromaticRings: 1

Sugarmoiety
SD00105

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