Glycoside
GD040410
Name:
[(2~{r},3~{r},4~{r},5~{r})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{h}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(sulfanyl)phosphoryl] hydrogen phosphateFormula:
C12H21O13N5P3SSmiles:
CO[C@H]1[C@@H](O)[C@@H](COP(=O)(O)O[P@](=O)(S)OP(=O)(O)O)O[C@@H]1n1c[n+](C)c2c(=O)[nH]c(N)nc21Aglycone:
COP(=O)(O)OP(=O)(S)OP(=O)(O)O.C[N+]1=C[N]c2nc(N)[nH]c(=O)c21Sugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 9 |
| MolWt: | 568.31 | Num_heavy_atoms: | 34 |
| TPSA: | 258.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD02176
Formula: C6H7ON5
Smiles:
C[N+]1=C[N]c2nc(N)[nH]c(=O)c21| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 165.16 | Num_heavy_atoms: | 12 |
| TPSA: | 88.88 | NumAromaticRings: | 1 |
AD24758
Formula: CH7O9P3S
Smiles:
COP(=O)(O)OP(=O)(S)OP(=O)(O)O| HBA: | 9 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 288.05 | Num_heavy_atoms: | 14 |
| TPSA: | 139.59 | NumAromaticRings: | 0 |
