Glycoside
GD040472
Name:
[[(2s,3as,5s,6r,6as)-2-dodecyl-6-oxidanyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-oxidanyl-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphateFormula:
C28H47O14N5P2Smiles:
CCCCCCCCCCCC[C@H]1O[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@H](O)[C@H]2O1Aglycone:
CCCCCCCCCCCCC1OC2OC(COP(=O)(O)OP(=O)(O)OC)C(O)C2O1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 20 |
| MolWt: | 739.65 | Num_heavy_atoms: | 49 |
| TPSA: | 269.52 | 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 |
AD24787
Formula: C19H38O11P2
Smiles:
CCCCCCCCCCCCC1OC2OC(COP(=O)(O)OP(=O)(O)OC)C(O)C2O1| HBA: | 11 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 4.01 | Num_rotatable_bonds: | 17 |
| MolWt: | 504.45 | Num_heavy_atoms: | 32 |
| TPSA: | 150.21 | NumAromaticRings: | 0 |
