Glycoside
...
GD097615

Name:
None

Formula:
C22H30O9N4

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ncnc3c2CN(C)CC3)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CN1CCc2ncnc(N)c2C1.COC(C)=O

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 1 FractionCSP3: 0.64
AlogP: -0.04 Num_rotatable_bonds: 7
MolWt: 494.5 Num_heavy_atoms: 35
TPSA: 155.48 NumAromaticRings: 1

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
AD28433
Formula: C8H12N4

Smiles:
CN1CCc2ncnc(N)c2C1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.5
AlogP: 0.05 Num_rotatable_bonds: 0
MolWt: 164.21 Num_heavy_atoms: 12
TPSA: 55.04 NumAromaticRings: 1

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O