Glycoside
GD037734
Name:
1-alpha-d-ribofuranosyl-benzimiazole-5'-phosphateFormula:
C12H15O7N2PSmiles:
O=P(O)(O)OC[C@H]1O[C@H](n2cnc3ccccc32)[C@@H](O)[C@H]1OAglycone:
C1=Nc2ccccc2[N]1.COP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 330.23 | Num_heavy_atoms: | 22 |
| TPSA: | 134.27 | NumAromaticRings: | 2 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD16933
Formula: C7H5N2
Smiles:
C1=Nc2ccccc2[N]1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 0 |
| MolWt: | 117.13 | Num_heavy_atoms: | 9 |
| TPSA: | 26.46 | NumAromaticRings: | 1 |
