Glycoside
...
GD101456

Name:
None

Formula:
C18H21O9N4Cl

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ncnc(Cl)n2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1ncnc(Cl)n1

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 1 FractionCSP3: 0.59
AlogP: 0.02 Num_rotatable_bonds: 7
MolWt: 460.83 Num_heavy_atoms: 31
TPSA: 165.13 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
AD42947
Formula: C4H3N4Cl

Smiles:
Nc1ncnc(Cl)n1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 0.11 Num_rotatable_bonds: 0
MolWt: 130.54 Num_heavy_atoms: 8
TPSA: 64.69 NumAromaticRings: 1

Sugarmoiety
SD00889

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