Glycoside
GD009144
Name:
NoneFormula:
C17H17O4N6ISmiles:
CNc1nc(NC(=O)c2cccc(I)c2)c2ncn([C@@H]3OC[C@H](O)[C@H]3O)c2n1Aglycone:
CNc1nc2c(c(NC(=O)c3cccc(I)c3)n1)N=C[N]2Sugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 496.27 | Num_heavy_atoms: | 28 |
| TPSA: | 134.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD07201
Formula: C13H10ON6I
Smiles:
CNc1nc2c(c(NC(=O)c3cccc(I)c3)n1)N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 393.17 | Num_heavy_atoms: | 21 |
| TPSA: | 93.37 | NumAromaticRings: | 2 |
