Glycoside
...
GD099356

Name:
None

Formula:
C16H22O5N5I

Smiles:
C=CCC[C@H](O)CNc1nc(I)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

Aglycone:
C=CCCC(O)CNc1nc(I)nc2c1N=C[N]2

Sugarmoiety:
OCC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 5 FractionCSP3: 0.56
AlogP: -0.22 Num_rotatable_bonds: 8
MolWt: 491.29 Num_heavy_atoms: 27
TPSA: 145.78 NumAromaticRings: 2

Unique Aglycone
AD42256
Formula: C11H13ON5I

Smiles:
C=CCCC(O)CNc1nc(I)nc2c1N=C[N]2
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.36
AlogP: 1.73 Num_rotatable_bonds: 6
MolWt: 358.16 Num_heavy_atoms: 18
TPSA: 84.5 NumAromaticRings: 1

Sugarmoiety
SD00015

OCC1OC(O)C(O)C1O