Glycoside
GD035662
Name:
NoneFormula:
C20H21O5N2ISmiles:
O=C(NC[C@]1(O)CO[C@H](CNC(=O)c2ccccc2I)[C@H]1O)c1ccccc1Aglycone:
CNC(=O)c1ccccc1.CNC(=O)c1ccccc1ISugarmoiety:
OC1OCC(O)(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 6 |
| MolWt: | 496.3 | Num_heavy_atoms: | 28 |
| TPSA: | 107.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD01201
Formula: C8H9ON
Smiles:
CNC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
AD12319
Formula: C8H8ONI
Smiles:
CNC(=O)c1ccccc1I| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 1 |
| MolWt: | 261.06 | Num_heavy_atoms: | 11 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
