Glycoside
GD038086
Name:
[(2~{r},3~{s},4~{r},5~{r})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl icosyl hydrogen phosphateFormula:
C30H54O7N5PSmiles:
CCCCCCCCCCCCCCCCCCCCOP(=O)(O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCCCCCCCCCCCCCCCCCCCOP(=O)(O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | 6.2 | Num_rotatable_bonds: | 24 |
| MolWt: | 627.76 | Num_heavy_atoms: | 43 |
| TPSA: | 175.07 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD23852
Formula: C21H45O4P
Smiles:
CCCCCCCCCCCCCCCCCCCCOP(=O)(O)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 7.79 | Num_rotatable_bonds: | 21 |
| MolWt: | 392.56 | Num_heavy_atoms: | 26 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
