Glycoside
...
GD035580

Name:
None

Formula:
C15H12O4N2ClI

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

Aglycone:
Clc1ccnc2c1C(I)=C[N]2

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

Other Identifiers

Properties
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.36
AlogP: 0.91 Num_rotatable_bonds: 2
MolWt: 434.62 Num_heavy_atoms: 22
TPSA: 87.74 NumAromaticRings: 2

Unique Aglycone
AD21472
Formula: C8H3N2ClI

Smiles:
Clc1ccnc2c1C(I)=C[N]2
HBA: 2 RingCount: 2
HBD: 0 FractionCSP3: 0.0
AlogP: 2.72 Num_rotatable_bonds: 0
MolWt: 277.47 Num_heavy_atoms: 11
TPSA: 26.99 NumAromaticRings: 1

Sugarmoiety
SD00341

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