Glycoside
GD038607
Name:
[(2~{r},3~{r},4~{r},5~{r})-5-(2-azanyl-7-ethanoyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphateFormula:
C13H20O9N5PSmiles:
CO[C@H]1[C@@H](O)[C@@H](COP(=O)(O)O)O[C@@H]1N1CN(C(C)=O)c2c1nc(N)[nH]c2=OAglycone:
CC(=O)N1CNc2nc(N)[nH]c(=O)c21.COP(=O)(O)OSugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -2.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 421.3 | Num_heavy_atoms: | 28 |
| TPSA: | 200.77 | 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 |
AD24064
Formula: C7H9O2N5
Smiles:
CC(=O)N1CNc2nc(N)[nH]c(=O)c21| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 0 |
| MolWt: | 195.18 | Num_heavy_atoms: | 14 |
| TPSA: | 104.11 | NumAromaticRings: | 1 |
