Glycoside
...
GD000335

Name:
None

Formula:
C15H20O7N4S

Smiles:
CC(=O)OCC1OC(n2cnc(C(N)=S)c2N)C(OC(C)=O)C1OC(C)=O

Aglycone:
COC(C)=O.NC(=S)C1=C(N)[N]C=N1

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 4 FractionCSP3: 0.53
AlogP: -0.58 Num_rotatable_bonds: 6
MolWt: 400.41 Num_heavy_atoms: 27
TPSA: 157.99 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
AD00379
Formula: C4H5N4S

Smiles:
NC(=S)C1=C(N)[N]C=N1
HBA: 4 RingCount: 1
HBD: 4 FractionCSP3: 0.0
AlogP: -0.95 Num_rotatable_bonds: 1
MolWt: 141.18 Num_heavy_atoms: 9
TPSA: 78.5 NumAromaticRings: 0

Sugarmoiety
SD00105

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