Glycoside
GD006984
Name:
NoneFormula:
C13H14O4N6Smiles:
OC[C@@H]1OC(n2cnc3c(-c4cc[nH]n4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2-c2cc[nH]n2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 318.29 | Num_heavy_atoms: | 23 |
| TPSA: | 142.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD05718
Formula: C8H5N6
Smiles:
C1=Nc2c(ncnc2-c2cc[nH]n2)[N]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 1 |
| MolWt: | 185.17 | Num_heavy_atoms: | 14 |
| TPSA: | 80.92 | NumAromaticRings: | 2 |
