Glycoside
GD016259
Name:
NoneFormula:
C14H19O4N6ISmiles:
OC[C@@H]1O[C@H](n2cnc3c(NN4CCCC4)nc(I)nc32)[C@H](O)[C@H]1OAglycone:
Ic1nc2c(c(NN3CCCC3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 462.25 | Num_heavy_atoms: | 25 |
| TPSA: | 128.79 | NumAromaticRings: | 2 |
Unique Aglycone
AD11734
Formula: C9H10N6I
Smiles:
Ic1nc2c(c(NN3CCCC3)n1)N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 329.13 | Num_heavy_atoms: | 16 |
| TPSA: | 67.51 | NumAromaticRings: | 1 |
