Glycoside
GD004078
Name:
IOSARCOLFormula:
C21H29O9N4I3Smiles:
CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)N(C)CC(=O)N(C)C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c1IAglycone:
CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)N(C)CC(=O)N(C)C)c1ISugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 11 |
| MolWt: | 862.19 | Num_heavy_atoms: | 37 |
| TPSA: | 199.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD03616
Formula: C16H19O4N4I3
Smiles:
CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)N(C)CC(=O)N(C)C)c1I| HBA: | 8 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 5 |
| MolWt: | 712.06 | Num_heavy_atoms: | 27 |
| TPSA: | 98.82 | NumAromaticRings: | 1 |
