Glycoside
GD039969
Name:
~{n}-[2-[1-[(2~{r},3~{r},4~{s},5~{r})-3,4-bis(oxidanyl)-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]-1,2,3-triazol-4-yl]ethyl]ethanamideFormula:
C11H19O8N4PSmiles:
CC(=O)NCCc1cn([C@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]2O)nn1Aglycone:
CC(=O)NCCC1=C[N]N=N1.COP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | -2.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 366.27 | Num_heavy_atoms: | 24 |
| TPSA: | 176.26 | NumAromaticRings: | 1 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD24615
Formula: C6H9ON4
Smiles:
CC(=O)NCCC1=C[N]N=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 153.16 | Num_heavy_atoms: | 11 |
| TPSA: | 67.92 | NumAromaticRings: | 0 |
