Glycoside
GD010848
Name:
NoneFormula:
C12H13O4N2ISmiles:
OC[C@@H]1O[C@H](n2cc(I)c3cccnc32)[C@H](O)[C@H]1OAglycone:
IC1=C[N]c2ncccc21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 376.15 | Num_heavy_atoms: | 19 |
| TPSA: | 87.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD08325
Formula: C7H4N2I
Smiles:
IC1=C[N]c2ncccc21| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 0 |
| MolWt: | 243.03 | Num_heavy_atoms: | 10 |
| TPSA: | 26.99 | NumAromaticRings: | 1 |
