Glycoside
GD091850
Name:
NoneFormula:
C14H16O5N3ISmiles:
OC[C@H]1O[C@@H](O)[C@H](Nc2ncc(I)c3ncccc23)[C@@H](O)[C@@H]1OAglycone:
Nc1ncc(I)c2ncccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 433.2 | Num_heavy_atoms: | 23 |
| TPSA: | 127.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD40055
Formula: C8H6N3I
Smiles:
Nc1ncc(I)c2ncccc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 0 |
| MolWt: | 271.06 | Num_heavy_atoms: | 12 |
| TPSA: | 51.8 | NumAromaticRings: | 2 |
