Glycoside
GD040154
Name:
3-{2,6,8-trioxo-9-[(2r,3s,4r)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7h-purin-7-yl}propyl dihydrogen phosphateFormula:
C13H21O11N4PSmiles:
O=c1[nH]c(=O)c2c([nH]1)n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c(=O)n2CCCOP(=O)(O)OAglycone:
Cn1c(=O)n(CCCOP(=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: | 0.62 |
| AlogP: | -4.25 | Num_rotatable_bonds: | 10 |
| MolWt: | 440.3 | Num_heavy_atoms: | 29 |
| TPSA: | 240.33 | NumAromaticRings: | 2 |
Unique Aglycone
AD09423
Formula: C9H13O7N4P
Smiles:
Cn1c(=O)n(CCCOP(=O)(O)O)c2c(=O)[nH]c(=O)[nH]c21| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 320.2 | Num_heavy_atoms: | 21 |
| TPSA: | 159.41 | NumAromaticRings: | 2 |
