Glycoside
GD083848
Name:
NoneFormula:
C13H16O5N3ISmiles:
OC[C@H]1O[C@@H](O)[C@H](Nc2c(I)ccn3ccnc23)[C@@H](O)[C@@H]1OAglycone:
Nc1c(I)ccn2ccnc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 421.19 | Num_heavy_atoms: | 22 |
| TPSA: | 119.48 | NumAromaticRings: | 2 |
Unique Aglycone
AD37379
Formula: C7H6N3I
Smiles:
Nc1c(I)ccn2ccnc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 0 |
| MolWt: | 259.05 | Num_heavy_atoms: | 11 |
| TPSA: | 43.32 | NumAromaticRings: | 2 |
