Glycoside
GD143692
Name:
6-{4-[4-(2-amino-2-carboxyethyl)-2,6-diiodophenoxy]-2,6-diiodophenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C21H19O10NI4Smiles:
NC(Cc1cc(I)c(Oc2cc(I)c(OC3OC(C(=O)O)C(O)C(O)C3O)c(I)c2)c(I)c1)C(=O)OAglycone:
NC(Cc1cc(I)c(Oc2cc(I)c(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: | 2.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 953.0 | Num_heavy_atoms: | 36 |
| TPSA: | 189.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD57778
Formula: C15H11O4NI4
Smiles:
NC(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 4.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 776.87 | Num_heavy_atoms: | 24 |
| TPSA: | 92.78 | NumAromaticRings: | 2 |
