Glycoside
GD039930
Name:
5'-o-[(s)-hydroxy{[(2r)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]oxy}phosphoryl]adenosineFormula:
C16H25O13N5P2Smiles:
CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)OP(=O)(O)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)OC(=O)C(O)C(C)(C)COP(=O)(O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -1.82 | Num_rotatable_bonds: | 10 |
| MolWt: | 557.35 | Num_heavy_atoms: | 36 |
| TPSA: | 279.13 | 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 |
AD24594
Formula: C7H16O10P2
Smiles:
COP(=O)(O)OC(=O)C(O)C(C)(C)COP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 322.14 | Num_heavy_atoms: | 19 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
