Glycoside
GD040223
Name:
4-{2,6,8-trioxo-9-[(2s,3r,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}butyl dihydrogen phosphateFormula:
C14H23O11N4PSmiles:
O=c1[nH]c(=O)c2c([nH]1)n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c(=O)n2CCCCOP(=O)(O)OAglycone:
Cn1c(=O)n(CCCCOP(=O)(O)O)c2c(=O)[nH]c(=O)[nH]c21Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.64 |
| AlogP: | -3.86 | Num_rotatable_bonds: | 11 |
| MolWt: | 454.33 | Num_heavy_atoms: | 30 |
| TPSA: | 240.33 | NumAromaticRings: | 2 |
Unique Aglycone
AD24699
Formula: C10H15O7N4P
Smiles:
Cn1c(=O)n(CCCCOP(=O)(O)O)c2c(=O)[nH]c(=O)[nH]c21| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 334.23 | Num_heavy_atoms: | 22 |
| TPSA: | 159.41 | NumAromaticRings: | 2 |
