Glycoside
GD101318
Name:
NoneFormula:
C16H16O5N5ISmiles:
OC[C@H]1O[C@@H](n2cnc3c(Nc4cccc(O)c4)nc(I)nc32)[C@H](O)[C@@H]1OAglycone:
Oc1cccc(Nc2nc(I)nc3c2N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 485.24 | Num_heavy_atoms: | 27 |
| TPSA: | 145.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD42873
Formula: C11H7ON5I
Smiles:
Oc1cccc(Nc2nc(I)nc3c2N=C[N]3)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 2 |
| MolWt: | 352.12 | Num_heavy_atoms: | 18 |
| TPSA: | 84.5 | NumAromaticRings: | 2 |
