Glycoside
GD050731
Name:
NoneFormula:
C13H15O6N3Smiles:
N#Cc1cccnc1C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
N#Cc1cccnc1C(N)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -2.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 309.28 | Num_heavy_atoms: | 22 |
| TPSA: | 155.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD26710
Formula: C7H5ON3
Smiles:
N#Cc1cccnc1C(N)=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 147.14 | Num_heavy_atoms: | 11 |
| TPSA: | 79.77 | NumAromaticRings: | 1 |
