Glycoside
GD034585
Name:
NoneFormula:
C23H27O6N5Smiles:
CC(C)(C#N)c1cc(Cn2c[n+]([C@@H]3O[C@H](C(=O)[O-])[C@H](O)[C@H](O)[C@H]3O)cn2)cc(C(C)(C)C#N)c1Aglycone:
CC(C)(C#N)c1cc(Cn2c[nH+]cn2)cc(C(C)(C)C#N)c1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.52 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 469.5 | Num_heavy_atoms: | 34 |
| TPSA: | 179.33 | NumAromaticRings: | 2 |
Unique Aglycone
AD21971
Formula: C17H20N5
Smiles:
CC(C)(C#N)c1cc(Cn2c[nH+]cn2)cc(C(C)(C)C#N)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.41 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 294.38 | Num_heavy_atoms: | 22 |
| TPSA: | 79.54 | NumAromaticRings: | 2 |
