Glycoside
GD017050
Name:
NoneFormula:
C18H18O4N5ISmiles:
OC[C@@H]1O[C@H](n2c(I)nc3c(N4CCc5ccccc54)ncnc32)[C@H](O)[C@H]1OAglycone:
IC1=Nc2c(ncnc2N2CCc3ccccc32)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 3 |
| MolWt: | 495.28 | Num_heavy_atoms: | 28 |
| TPSA: | 116.76 | NumAromaticRings: | 3 |
Unique Aglycone
AD12215
Formula: C13H9N5I
Smiles:
IC1=Nc2c(ncnc2N2CCc3ccccc32)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.15 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 362.15 | Num_heavy_atoms: | 19 |
| TPSA: | 55.48 | NumAromaticRings: | 2 |
