Glycoside
...
GD097492

Name:
None

Formula:
C20H25O9N5

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ncc3ncn(C)c3n2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Cn1cnc2cnc(N)nc21

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 1 FractionCSP3: 0.55
AlogP: -0.14 Num_rotatable_bonds: 7
MolWt: 479.45 Num_heavy_atoms: 34
TPSA: 170.06 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
AD01077
Formula: C6H7N5

Smiles:
Cn1cnc2cnc(N)nc21
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.17
AlogP: -0.05 Num_rotatable_bonds: 0
MolWt: 149.16 Num_heavy_atoms: 11
TPSA: 69.62 NumAromaticRings: 2

Sugarmoiety
SD00889

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