Glycoside
...
GD097944

Name:
None

Formula:
C19H22O9N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(OC4COC4)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
C1=Nc2c(ncnc2OC2COC2)[N]1.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 0 FractionCSP3: 0.58
AlogP: -0.07 Num_rotatable_bonds: 7
MolWt: 450.4 Num_heavy_atoms: 32
TPSA: 150.19 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
AD41658
Formula: C8H7O2N4

Smiles:
C1=Nc2c(ncnc2OC2COC2)[N]1
HBA: 6 RingCount: 3
HBD: 0 FractionCSP3: 0.38
AlogP: 0.16 Num_rotatable_bonds: 2
MolWt: 191.17 Num_heavy_atoms: 14
TPSA: 70.7 NumAromaticRings: 1

Sugarmoiety
SD00105

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