Glycoside
GD037731
Name:
[[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{r},3~{s},4~{r},5~{r})-3,4-bis(oxidanyl)-5-(8-oxidanylidene-7~{h}-2,7-naphthyridin-2-yl)oxolan-2-yl]methyl hydrogen phosphateFormula:
C23H28O14N7P2Smiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@H]([n+]3ccc4cc[nH]c(=O)c4c3)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OC.Nc1ncnc2c1N=C[N]2.O=c1[nH]ccc2cc[nH+]cc12Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.43 |
| AlogP: | -2.27 | Num_rotatable_bonds: | 10 |
| MolWt: | 688.46 | Num_heavy_atoms: | 46 |
| TPSA: | 308.03 | NumAromaticRings: | 4 |
Unique Aglycone
AD00050
Formula: C2H8O7P2
Smiles:
COP(=O)(O)OP(=O)(O)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 206.03 | Num_heavy_atoms: | 11 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD23713
Formula: C8H7ON2
Smiles:
O=c1[nH]ccc2cc[nH+]cc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 0 |
| MolWt: | 147.16 | Num_heavy_atoms: | 11 |
| TPSA: | 47.0 | NumAromaticRings: | 2 |
