Glycoside
GD038187
Name:
[(2~{r},3~{s},4~{r},5~{s})-3,4-bis(oxidanyl)-5-[1-[(2-phenyl-1~{h}-imidazol-5-yl)methyl]-1,2,3-triazol-4-yl]oxolan-2-yl]methyl dihydrogen phosphateFormula:
C17H20O7N5PSmiles:
O=P(O)(O)OC[C@H]1O[C@H](c2cn(Cc3cnc(-c4ccccc4)[nH]3)nn2)[C@@H](O)[C@H]1OAglycone:
COP(=O)(O)O.c1ccc(-c2ncc(Cn3ccnn3)[nH]2)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 437.35 | Num_heavy_atoms: | 30 |
| TPSA: | 175.84 | NumAromaticRings: | 3 |
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 |
AD23892
Formula: C12H11N5
Smiles:
c1ccc(-c2ncc(Cn3ccnn3)[nH]2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 3 |
| MolWt: | 225.26 | Num_heavy_atoms: | 17 |
| TPSA: | 59.39 | NumAromaticRings: | 3 |
