Glycoside
GD078813
Name:
NoneFormula:
C19H17O5N5Smiles:
N#Cc1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2ncnc(NC(=O)c3ccccc3)c12Aglycone:
N#CC1=C[N]c2ncnc(NC(=O)c3ccccc3)c21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 395.38 | Num_heavy_atoms: | 29 |
| TPSA: | 153.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD36213
Formula: C14H8ON5
Smiles:
N#CC1=C[N]c2ncnc(NC(=O)c3ccccc3)c21| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 262.25 | Num_heavy_atoms: | 20 |
| TPSA: | 92.77 | NumAromaticRings: | 2 |
