Glycoside
GD039032
Name:
2,5-anhydro-1-deoxy-1-phosphono-6-o-phosphono-d-glucitolFormula:
C6H14O10P2Smiles:
O=P(O)(O)C[C@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1OAglycone:
COP(=O)(O)O.CP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -2.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 308.12 | Num_heavy_atoms: | 18 |
| TPSA: | 173.98 | NumAromaticRings: | 0 |
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 |
AD00991
Formula: CH5O3P
Smiles:
CP(=O)(O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 0 |
| MolWt: | 96.02 | Num_heavy_atoms: | 5 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
