Glycoside
GD017832
Name:
NoneFormula:
C14H13O5N4ClSmiles:
C#C[C@@]1(O)[C@H](CO)O[C@H](n2cnc3c(OC)nc(Cl)nc32)[C@H]1OAglycone:
COc1nc(Cl)nc2c1N=C[N]2Sugarmoiety:
C#CC1(O)C(CO)OC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.46 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 3 |
| MolWt: | 340.72 | Num_heavy_atoms: | 23 |
| TPSA: | 122.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD12681
Formula: C7H4ON4Cl
Smiles:
COc1nc(Cl)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 183.58 | Num_heavy_atoms: | 12 |
| TPSA: | 61.47 | NumAromaticRings: | 1 |
