Glycoside
GD113343
Name:
NoneFormula:
C26H16O7NCl2ISmiles:
O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1I)c1ccc(Cl)cc1Aglycone:
Nc1ccccc1I.O=Cc1ccc(Cl)cc1.O=Cc1ccc(Cl)cc1Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 5.07 | Num_rotatable_bonds: | 8 |
| MolWt: | 628.2 | Num_heavy_atoms: | 35 |
| TPSA: | 119.0 | NumAromaticRings: | 3 |
Unique Aglycone
AD33170
Formula: C6H6NI
Smiles:
Nc1ccccc1I| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 219.02 | Num_heavy_atoms: | 8 |
| TPSA: | 26.02 | NumAromaticRings: | 1 |
AD40392
Formula: C8H5OCl
Smiles:
O=Cc1ccc(Cl)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 140.57 | Num_heavy_atoms: | 9 |
| TPSA: | 17.07 | NumAromaticRings: | 1 |
