Glycoside
GD039829
Name:
[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-diazanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxyphosphinic acidFormula:
C10H16O7N7PSmiles:
NNc1nc(N)nc2c1ncn2[C@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)O.NNc1nc(N)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -2.58 | Num_rotatable_bonds: | 5 |
| MolWt: | 377.25 | Num_heavy_atoms: | 25 |
| TPSA: | 224.12 | NumAromaticRings: | 2 |
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 |
AD01595
Formula: C5H6N7
Smiles:
NNc1nc(N)nc2c1N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 164.15 | Num_heavy_atoms: | 12 |
| TPSA: | 116.31 | NumAromaticRings: | 1 |
