Glycoside
GD008135
Name:
NoneFormula:
C16H16O4N5ISmiles:
OC[C@@H]1O[C@H](n2c(I)nc3c(Nc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
IC1=Nc2c(ncnc2Nc2ccccc2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 4 |
| MolWt: | 469.24 | Num_heavy_atoms: | 26 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD06537
Formula: C11H7N5I
Smiles:
IC1=Nc2c(ncnc2Nc2ccccc2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 336.12 | Num_heavy_atoms: | 17 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
