Glycoside
GD050946
Name:
NoneFormula:
C14H17O6N3Smiles:
N#Cc1cc(CC(=O)N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)ccn1Aglycone:
N#Cc1cc(CC(N)=O)ccn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -2.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 323.31 | Num_heavy_atoms: | 23 |
| TPSA: | 155.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD26779
Formula: C8H7ON3
Smiles:
N#Cc1cc(CC(N)=O)ccn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 161.16 | Num_heavy_atoms: | 12 |
| TPSA: | 79.77 | NumAromaticRings: | 1 |
