Glycoside
GD040226
Name:
3-(1,3,7-trihydro-9-d-ribityl-2,6,8-purinetrione-7-yl) 1,1 difluoropentane-1-phosphateFormula:
C15H23O10N4F2PSmiles:
O=c1[nH]c(=O)c2c([nH]1)n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c(=O)n2CCCCC(F)(F)P(=O)(O)OAglycone:
Cn1c(=O)n(CCCCC(F)(F)P(=O)(O)O)c2c(=O)[nH]c(=O)[nH]c21Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.67 |
| AlogP: | -2.8 | Num_rotatable_bonds: | 11 |
| MolWt: | 488.34 | Num_heavy_atoms: | 32 |
| TPSA: | 231.1 | NumAromaticRings: | 2 |
Unique Aglycone
AD24700
Formula: C11H15O6N4F2P
Smiles:
Cn1c(=O)n(CCCCC(F)(F)P(=O)(O)O)c2c(=O)[nH]c(=O)[nH]c21| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 368.23 | Num_heavy_atoms: | 24 |
| TPSA: | 150.18 | NumAromaticRings: | 2 |
