Glycoside
GD035516
Name:
NoneFormula:
C26H30O6N4Smiles:
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC[C@H](O)[C@H](O)[C@H](O)CO)no2)cc1C#NAglycone:
CNC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 10 |
| MolWt: | 494.55 | Num_heavy_atoms: | 36 |
| TPSA: | 164.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD22462
Formula: C22H22O2N4
Smiles:
CNC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.32 |
| AlogP: | 4.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 374.44 | Num_heavy_atoms: | 28 |
| TPSA: | 83.97 | NumAromaticRings: | 3 |
