Glycoside
...
GD016421

Name:
None

Formula:
C16H18O7N5ClS

Smiles:
CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](CS(C)(=O)=O)O[C@@H]1n1cnc2c(N)nc(Cl)nc21

Aglycone:
CS(C)(=O)=O.Nc1nc(Cl)nc2c1N=C[N]2

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 2 FractionCSP3: 0.53
AlogP: -0.13 Num_rotatable_bonds: 5
MolWt: 447.86 Num_heavy_atoms: 29
TPSA: 165.59 NumAromaticRings: 2

Unique Aglycone
AD00116
Formula: C2H6O2S

Smiles:
CS(C)(=O)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 1.0
AlogP: -0.34 Num_rotatable_bonds: 0
MolWt: 94.13 Num_heavy_atoms: 5
TPSA: 34.14 NumAromaticRings: 0
AD00532
Formula: C6H3N5Cl

Smiles:
Nc1nc(Cl)nc2c1N=C[N]2
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 0.62 Num_rotatable_bonds: 0
MolWt: 168.57 Num_heavy_atoms: 11
TPSA: 78.26 NumAromaticRings: 1

Sugarmoiety
SD00105

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