Glycoside
GD082819
Name:
NoneFormula:
C19H23O6N5Smiles:
CC(=O)N[C@H]1[C@H](OCCn2cc(-c3cccc(C#N)c3)nn2)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
N#Cc1cccc(-c2cn(CCO)nn2)c1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 417.42 | Num_heavy_atoms: | 30 |
| TPSA: | 162.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD35230
Formula: C11H10ON4
Smiles:
N#Cc1cccc(-c2cn(CCO)nn2)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 3 |
| MolWt: | 214.23 | Num_heavy_atoms: | 16 |
| TPSA: | 74.73 | NumAromaticRings: | 2 |
