Glycoside
GD038803
Name:
[(2~{r},3~{s},4~{r},5~{r})-5-[2,6-bis(oxidanylidene)-3~{h}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphateFormula:
C10H14O12N4P2Smiles:
O=c1[nH]c(=O)c2ncn([C@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]3O)c2[nH]1Aglycone:
COP(=O)(O)OP(=O)(O)O.O=c1[nH]c2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -2.74 | Num_rotatable_bonds: | 6 |
| MolWt: | 444.19 | Num_heavy_atoms: | 28 |
| TPSA: | 246.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD02805
Formula: C5H3O2N4
Smiles:
O=c1[nH]c2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 151.11 | Num_heavy_atoms: | 11 |
| TPSA: | 92.18 | NumAromaticRings: | 1 |
