Glycoside
GD039911
Name:
3-(1,3,7-trihydro-9-d-ribityl-2,6,8-purinetrione-7-yl ) hexane 1-phosphateFormula:
C16H27O11N4PSmiles:
O=c1[nH]c(=O)c2c([nH]1)n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c(=O)n2CCCCCCOP(=O)(O)OAglycone:
Cn1c(=O)n(CCCCCCOP(=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: | 0.69 |
| AlogP: | -3.08 | Num_rotatable_bonds: | 13 |
| MolWt: | 482.38 | Num_heavy_atoms: | 32 |
| TPSA: | 240.33 | NumAromaticRings: | 2 |
Unique Aglycone
AD24584
Formula: C12H19O7N4P
Smiles:
Cn1c(=O)n(CCCCCCOP(=O)(O)O)c2c(=O)[nH]c(=O)[nH]c21| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 362.28 | Num_heavy_atoms: | 24 |
| TPSA: | 159.41 | NumAromaticRings: | 2 |
