Glycoside
GD080931
Name:
NoneFormula:
C12H12O6N3ISmiles:
O=C(c1nc(-c2ccc(I)nc2)no1)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
Ic1ccc(-c2ncon2)cn1Sugarmoiety:
O=C(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 421.15 | Num_heavy_atoms: | 22 |
| TPSA: | 149.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD36536
Formula: C7H4ON3I
Smiles:
Ic1ccc(-c2ncon2)cn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 273.03 | Num_heavy_atoms: | 12 |
| TPSA: | 51.81 | NumAromaticRings: | 2 |
