Glycoside
GD115963
Name:
3-[(1-hydroxyethylidene)amino]-2,4,6-triiodo-5-(N-methylacetamido)-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzene-1-carboximidic acidFormula:
C18H22O8N3I3Smiles:
CC(=O)N(C)c1c(I)c(N=C(C)O)c(I)c(C(O)=NC2C(O)OC(CO)C(O)C2O)c1IAglycone:
CC(=O)N(C)c1c(I)c(N=C(C)O)c(I)c(C(=N)O)c1ISugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 789.1 | Num_heavy_atoms: | 32 |
| TPSA: | 175.64 | NumAromaticRings: | 1 |
Unique Aglycone
AD45961
Formula: C12H12O3N3I3
Smiles:
CC(=O)N(C)c1c(I)c(N=C(C)O)c(I)c(C(=N)O)c1I| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 3.97 | Num_rotatable_bonds: | 3 |
| MolWt: | 626.96 | Num_heavy_atoms: | 21 |
| TPSA: | 96.98 | NumAromaticRings: | 1 |
