Glycoside
GD038578
Name:
(2~{r})-2-azanyl-4-[5-[(2~{s},3~{r},4~{s},5~{r})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-3-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]butanoic acidFormula:
C14H22O11N3PSmiles:
Cn1cc([C@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]2O)c(=O)n(CC[C@@H](N)C(=O)O)c1=OAglycone:
COP(=O)(O)O.Cn1ccc(=O)n(CCC(N)C(=O)O)c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | -3.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 439.31 | Num_heavy_atoms: | 29 |
| TPSA: | 223.77 | 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 |
AD24065
Formula: C9H13O4N3
Smiles:
Cn1ccc(=O)n(CCC(N)C(=O)O)c1=O| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | -1.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 227.22 | Num_heavy_atoms: | 16 |
| TPSA: | 107.32 | NumAromaticRings: | 1 |
