Glycoside
GD100361
Name:
NoneFormula:
C19H18O4N6BrSmiles:
OC[C@H]1O[C@@H](n2c(Br)nc3c(Nc4cc[nH+]c5ccccc45)ncnc32)[C@H](O)[C@@H]1OAglycone:
BrC1=Nc2c(ncnc2Nc2cc[nH+]c3ccccc23)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 474.3 | Num_heavy_atoms: | 30 |
| TPSA: | 139.69 | NumAromaticRings: | 4 |
Unique Aglycone
AD42402
Formula: C14H9N6Br
Smiles:
BrC1=Nc2c(ncnc2Nc2cc[nH+]c3ccccc23)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 341.17 | Num_heavy_atoms: | 21 |
| TPSA: | 78.41 | NumAromaticRings: | 3 |
