Glycoside
GD156459
Name:
6-{4-[4-(2-amino-2-carboxyethyl)-2,6-diiodophenoxy]-2-iodophenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C21H20O10NI3Smiles:
NC(Cc1cc(I)c(Oc2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)c(I)c2)c(I)c1)C(=O)OAglycone:
NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 8 |
| MolWt: | 827.1 | Num_heavy_atoms: | 35 |
| TPSA: | 189.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD18052
Formula: C15H12O4NI3
Smiles:
NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 3.95 | Num_rotatable_bonds: | 5 |
| MolWt: | 650.98 | Num_heavy_atoms: | 23 |
| TPSA: | 92.78 | NumAromaticRings: | 2 |
