Glycoside
GD040214
Name:
3-(1,3,7-trihydro-9-d-ribityl-2,6,8-purinetrione-7-yl) 1-phosphateFormula:
C15H25O11N4PSmiles:
O=c1[nH]c(=O)c2c([nH]1)n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c(=O)n2CCCCCOP(=O)(O)OAglycone:
Cn1c(=O)n(CCCCCOP(=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: | 0.67 |
| AlogP: | -3.47 | Num_rotatable_bonds: | 12 |
| MolWt: | 468.36 | Num_heavy_atoms: | 31 |
| TPSA: | 240.33 | NumAromaticRings: | 2 |
Unique Aglycone
AD24697
Formula: C11H17O7N4P
Smiles:
Cn1c(=O)n(CCCCCOP(=O)(O)O)c2c(=O)[nH]c(=O)[nH]c21| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 7 |
| MolWt: | 348.25 | Num_heavy_atoms: | 23 |
| TPSA: | 159.41 | NumAromaticRings: | 2 |
