Glycoside
GD023371
Name:
NoneFormula:
C14H15O5N3Smiles:
C#Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c2ncnc(OC)c12Aglycone:
C#CC1=C[N]c2ncnc(OC)c21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 3 |
| MolWt: | 305.29 | Num_heavy_atoms: | 22 |
| TPSA: | 109.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD15729
Formula: C9H6ON3
Smiles:
C#CC1=C[N]c2ncnc(OC)c21| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 172.17 | Num_heavy_atoms: | 13 |
| TPSA: | 49.11 | NumAromaticRings: | 1 |
