Glycoside
GD019074
Name:
NoneFormula:
C19H22O3N5SISmiles:
CCSC[C@@H]1O[C@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
Ic1cccc(CNc2ncnc3c2N=C[N]3)c1Sugarmoiety:
CCSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 527.39 | Num_heavy_atoms: | 29 |
| TPSA: | 105.32 | NumAromaticRings: | 3 |
Unique Aglycone
AD02183
Formula: C12H9N5I
Smiles:
Ic1cccc(CNc2ncnc3c2N=C[N]3)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 350.14 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
