Glycoside
GD015431
Name:
NoneFormula:
C28H42O16NISmiles:
CC(=O)N[C@@H]1[C@H](O[C@@H]2[C@H](OC[C@@H]3O[C@H](OCCc4ccc([125I])cc4)[C@H](O)[C@H](O)[C@H]3O)O[C@H](CO)[C@H](O)[C@H]2O)O[C@H](CO)[C@H](O)[C@H]1OAglycone:
OCCc1ccc(I)cc1Sugarmoiety:
CC(=O)NC1C(OC2C(OCC3OC(O)C(O)C(O)C3O)OC(CO)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.75 |
| AlogP: | -4.56 | Num_rotatable_bonds: | 12 |
| MolWt: | 773.54 | Num_heavy_atoms: | 46 |
| TPSA: | 266.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD11216
Formula: C8H9OI
Smiles:
OCCc1ccc(I)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 248.06 | Num_heavy_atoms: | 10 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
