Glycoside
...
GD031674

Name:
None

Formula:
C16H20O8N6S

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2cnc3c([S+](N)[O-])nc(N)nc32)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1nc2c(c([S+](N)[O-])n1)N=C[N]2

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 4 FractionCSP3: 0.5
AlogP: -1.29 Num_rotatable_bonds: 6
MolWt: 456.44 Num_heavy_atoms: 31
TPSA: 206.83 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
AD03972
Formula: C5H5ON6S

Smiles:
Nc1nc2c(c([S+](N)[O-])n1)N=C[N]2
HBA: 7 RingCount: 2
HBD: 4 FractionCSP3: 0.0
AlogP: -1.05 Num_rotatable_bonds: 1
MolWt: 197.2 Num_heavy_atoms: 13
TPSA: 127.34 NumAromaticRings: 1

Sugarmoiety
SD00105

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