Glycoside
GD045116
Name:
NoneFormula:
C12H18O5N4Smiles:
N#CCCCc1cn(C[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)nn1Aglycone:
Cn1cc(CCCC#N)nn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 298.3 | Num_heavy_atoms: | 21 |
| TPSA: | 144.65 | NumAromaticRings: | 1 |
Unique Aglycone
AD25198
Formula: C7H10N4
Smiles:
Cn1cc(CCCC#N)nn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.57 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 150.19 | Num_heavy_atoms: | 11 |
| TPSA: | 54.5 | NumAromaticRings: | 1 |
