Glycoside
...
GD100950

Name:
None

Formula:
C18H19O7N6Cl

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC=N)nc(Cl)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.N=CNc1nc(Cl)nc2c1N=C[N]2

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 2 FractionCSP3: 0.47
AlogP: 0.82 Num_rotatable_bonds: 7
MolWt: 454.83 Num_heavy_atoms: 31
TPSA: 167.61 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
AD42664
Formula: C7H4N6Cl

Smiles:
N=CNc1nc(Cl)nc2c1N=C[N]2
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 1.06 Num_rotatable_bonds: 2
MolWt: 195.59 Num_heavy_atoms: 13
TPSA: 88.12 NumAromaticRings: 1

Sugarmoiety
SD00105

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