Glycoside
GD024710
Name:
NoneFormula:
C19H15O4N4ClSmiles:
C#C[C@@]1(O)[C@H](CO)O[C@H](n2cnc3c(-c4ccc(Cl)cc4)ncnc32)[C@H]1OAglycone:
Clc1ccc(-c2ncnc3c2N=C[N]3)cc1Sugarmoiety:
C#CC1(O)C(CO)OC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.28 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 386.8 | Num_heavy_atoms: | 27 |
| TPSA: | 113.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD05989
Formula: C12H6N4Cl
Smiles:
Clc1ccc(-c2ncnc3c2N=C[N]3)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 229.65 | Num_heavy_atoms: | 16 |
| TPSA: | 52.24 | NumAromaticRings: | 2 |
