Glycoside
GD098108
Name:
NoneFormula:
C14H15O7N2ISmiles:
COc1cc(I)ccc1-c1noc(C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)n1Aglycone:
COc1cc(I)ccc1-c1ncon1Sugarmoiety:
O=C(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 450.19 | Num_heavy_atoms: | 24 |
| TPSA: | 146.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD41751
Formula: C9H7O2N2I
Smiles:
COc1cc(I)ccc1-c1ncon1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.07 | Num_heavy_atoms: | 14 |
| TPSA: | 48.15 | NumAromaticRings: | 2 |
