Glycoside
GD004081
Name:
IOGULAMIDEFormula:
C20H26O12N3I3Smiles:
O=C(Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)C(=O)[C@H](O)[C@H](O)[C@H](O)COAglycone:
Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1ISugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 15 | RingCount: | 1 |
| HBD: | 11 | FractionCSP3: | 0.5 |
| AlogP: | -3.75 | Num_rotatable_bonds: | 14 |
| MolWt: | 881.15 | Num_heavy_atoms: | 38 |
| TPSA: | 266.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD03618
Formula: C14H18O6N3I3
Smiles:
Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I| HBA: | 9 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.43 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 8 |
| MolWt: | 705.03 | Num_heavy_atoms: | 26 |
| TPSA: | 165.14 | NumAromaticRings: | 1 |
