Glycoside
...
GD104418

Name:
None

Formula:
C23H23O8N5

Smiles:
CC(=O)OC[C@@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C(Nc1ncnc2c1N=C[N]2)c1ccccc1

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 1 FractionCSP3: 0.35
AlogP: 1.4 Num_rotatable_bonds: 7
MolWt: 497.46 Num_heavy_atoms: 36
TPSA: 160.83 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
AD00783
Formula: C12H8ON5

Smiles:
O=C(Nc1ncnc2c1N=C[N]2)c1ccccc1
HBA: 6 RingCount: 3
HBD: 1 FractionCSP3: 0.0
AlogP: 1.64 Num_rotatable_bonds: 2
MolWt: 238.23 Num_heavy_atoms: 18
TPSA: 81.34 NumAromaticRings: 2

Sugarmoiety
SD00105

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