Glycoside
GD040168
Name:
2-c-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(r)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-6-o-phosphono-d-glucitolFormula:
C18H32O16N4P3SSmiles:
Cc1ncc(C[n+]2c([C@](O)(CO)[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)O)sc(CCO[P@](=O)(O)OP(=O)(O)O)c2C)c(N)n1Aglycone:
Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1Sugarmoiety:
O=P(O)(O)OCC(O)C(O)C(O)C(O)(O)COOther Identifiers
Properties
| HBA: | 20 | RingCount: | 2 |
| HBD: | 12 | FractionCSP3: | 0.61 |
| AlogP: | -2.79 | Num_rotatable_bonds: | 16 |
| MolWt: | 685.46 | Num_heavy_atoms: | 42 |
| TPSA: | 336.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD24685
Formula: C12H19O7N4P2S
Smiles:
Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 8 |
| MolWt: | 425.32 | Num_heavy_atoms: | 26 |
| TPSA: | 168.97 | NumAromaticRings: | 2 |
