Glycoside
...
GD099005

Name:
None

Formula:
C19H26O7N7S

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC(=S)NCC[NH3+])ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.[NH3+]CCNC(=S)Nc1ncnc2c1N=C[N]2

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 5 FractionCSP3: 0.53
AlogP: -1.32 Num_rotatable_bonds: 8
MolWt: 496.53 Num_heavy_atoms: 34
TPSA: 183.43 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
AD38859
Formula: C8H11N7S

Smiles:
[NH3+]CCNC(=S)Nc1ncnc2c1N=C[N]2
HBA: 7 RingCount: 2
HBD: 5 FractionCSP3: 0.25
AlogP: -1.09 Num_rotatable_bonds: 3
MolWt: 237.29 Num_heavy_atoms: 16
TPSA: 103.94 NumAromaticRings: 1

Sugarmoiety
SD00105

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