Glycoside
GD101567
Name:
NoneFormula:
C17H19O4N6ISmiles:
OC[C@H]1O[C@@H](n2cc(I)c3c(Nc4cnn(C5CC5)c4)ncnc32)[C@H](O)[C@@H]1OAglycone:
IC1=C[N]c2ncnc(Nc3cnn(C4CC4)c3)c21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 5 |
| MolWt: | 498.28 | Num_heavy_atoms: | 28 |
| TPSA: | 130.48 | NumAromaticRings: | 3 |
Unique Aglycone
AD42996
Formula: C12H10N6I
Smiles:
IC1=C[N]c2ncnc(Nc3cnn(C4CC4)c3)c21| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 365.16 | Num_heavy_atoms: | 19 |
| TPSA: | 69.73 | NumAromaticRings: | 2 |
