Glycoside
GD046723
Name:
NoneFormula:
C11H11O5N4ClSmiles:
OC[C@H]1O[C@@H](On2cnc3c(Cl)ncnc32)[C@H](O)[C@@H]1OAglycone:
On1cnc2c(Cl)ncnc21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -1.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 302.67 | Num_heavy_atoms: | 20 |
| TPSA: | 122.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD25403
Formula: C6H3ON4Cl
Smiles:
On1cnc2c(Cl)ncnc21| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 0 |
| MolWt: | 170.56 | Num_heavy_atoms: | 11 |
| TPSA: | 63.83 | NumAromaticRings: | 2 |
