Glycoside
GD034792
Name:
NoneFormula:
C14H19O4N3Smiles:
CCc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c2nccc(N)c12Aglycone:
CCC1=C[N]c2nccc(N)c21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 293.32 | Num_heavy_atoms: | 21 |
| TPSA: | 113.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD22076
Formula: C9H10N3
Smiles:
CCC1=C[N]c2nccc(N)c21| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 1 |
| MolWt: | 160.2 | Num_heavy_atoms: | 12 |
| TPSA: | 53.01 | NumAromaticRings: | 1 |
