Glycoside
...
GD031586

Name:
None

Formula:
C14H14O4N3I

Smiles:
C#C[C@@]1(O)[C@H](CO)O[C@H](n2cc(I)c3c(N)ccnc32)[C@H]1O

Aglycone:
Nc1ccnc2c1C(I)=C[N]2

Sugarmoiety:
C#CC1(O)C(CO)OC(O)C1O

Other Identifiers

Properties
HBA: 7 RingCount: 3
HBD: 5 FractionCSP3: 0.36
AlogP: -0.16 Num_rotatable_bonds: 2
MolWt: 415.19 Num_heavy_atoms: 22
TPSA: 113.76 NumAromaticRings: 2

Unique Aglycone
AD20338
Formula: C7H5N3I

Smiles:
Nc1ccnc2c1C(I)=C[N]2
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 1.65 Num_rotatable_bonds: 0
MolWt: 258.04 Num_heavy_atoms: 11
TPSA: 53.01 NumAromaticRings: 1

Sugarmoiety
SD00341

C#CC1(O)C(CO)OC(O)C1O