Glycoside
GD095564
Name:
NoneFormula:
C14H18O4N6ISmiles:
OC[C@H]1O[C@@H](n2cnc3c(/N=C4\CC[NH2+]C4)nc(I)nc32)[C@H](O)[C@@H]1OAglycone:
Ic1nc2c(c(N=C3CC[NH2+]C3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 3 |
| MolWt: | 461.24 | Num_heavy_atoms: | 25 |
| TPSA: | 142.49 | NumAromaticRings: | 2 |
Unique Aglycone
AD40770
Formula: C9H9N6I
Smiles:
Ic1nc2c(c(N=C3CC[NH2+]C3)n1)N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 328.12 | Num_heavy_atoms: | 16 |
| TPSA: | 81.21 | NumAromaticRings: | 1 |
