Glycoside
...
GD093007

Name:
None

Formula:
C18H16O7N4Cl2

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

Aglycone:
COC(C)=O.Clc1nc(Cl)c2c(n1)[N]C=N2

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 0 FractionCSP3: 0.5
AlogP: 1.46 Num_rotatable_bonds: 5
MolWt: 447.23 Num_heavy_atoms: 29
TPSA: 131.73 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
AD05729
Formula: C7HN4Cl2

Smiles:
Clc1nc(Cl)c2c(n1)[N]C=N2
HBA: 4 RingCount: 2
HBD: 0 FractionCSP3: 0.0
AlogP: 1.69 Num_rotatable_bonds: 0
MolWt: 188.0 Num_heavy_atoms: 11
TPSA: 52.24 NumAromaticRings: 1

Sugarmoiety
SD00105

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