Glycoside
GD100385
Name:
NoneFormula:
C14H16O4N6ISmiles:
OC[C@H]1O[C@@H](n2cc(I)c3c([NH+]=c4[nH]cc[nH]4)ncnc32)[C@H](O)[C@@H]1OAglycone:
IC1=C[N]c2ncnc([NH+]=c3[nH]cc[nH]3)c21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | -2.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 459.22 | Num_heavy_atoms: | 25 |
| TPSA: | 146.18 | NumAromaticRings: | 3 |
Unique Aglycone
AD42418
Formula: C9H7N6I
Smiles:
IC1=C[N]c2ncnc([NH+]=c3[nH]cc[nH]3)c21| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 326.1 | Num_heavy_atoms: | 16 |
| TPSA: | 85.43 | NumAromaticRings: | 2 |
