Glycoside
GD018357
Name:
IOGLUCOMIDEFormula:
C20H28O13N3I3Smiles:
CNC(=O)c1c(I)c(NC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c(I)c(NC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c1IAglycone:
CNC(=O)c1c(I)c(N)c(I)c(N)c1ISugarmoiety:
O=C(O)C(O)C(O)C(O)C(O)CO.O=C(O)C(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 16 | RingCount: | 1 |
| HBD: | 13 | FractionCSP3: | 0.55 |
| AlogP: | -4.39 | Num_rotatable_bonds: | 13 |
| MolWt: | 899.16 | Num_heavy_atoms: | 39 |
| TPSA: | 289.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD12965
Formula: C8H8ON3I3
Smiles:
CNC(=O)c1c(I)c(N)c(I)c(N)c1I| HBA: | 4 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.12 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 542.88 | Num_heavy_atoms: | 15 |
| TPSA: | 81.14 | NumAromaticRings: | 1 |
