Glycoside
GD050710
Name:
NoneFormula:
C14H20O5N3Smiles:
Cc1ccc(CC#N)c(N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)[nH+]1Aglycone:
Cc1ccc(CC#N)c(N)[nH+]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -1.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 310.33 | Num_heavy_atoms: | 22 |
| TPSA: | 140.11 | NumAromaticRings: | 1 |
Unique Aglycone
AD26704
Formula: C8H10N3
Smiles:
Cc1ccc(CC#N)c(N)[nH+]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 148.19 | Num_heavy_atoms: | 11 |
| TPSA: | 63.95 | NumAromaticRings: | 1 |
