Glycoside
GD098930
Name:
NoneFormula:
C16H22O4N6ISmiles:
OC[C@H]1O[C@@H](n2cnc3c(/N=C4\CCC[NH2+]CC4)nc(I)nc32)[C@H](O)[C@@H]1OAglycone:
Ic1nc2c(c(N=C3CCC[NH2+]CC3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 489.29 | Num_heavy_atoms: | 27 |
| TPSA: | 142.49 | NumAromaticRings: | 2 |
Unique Aglycone
AD42095
Formula: C11H13N6I
Smiles:
Ic1nc2c(c(N=C3CCC[NH2+]CC3)n1)N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 356.17 | Num_heavy_atoms: | 18 |
| TPSA: | 81.21 | NumAromaticRings: | 1 |
