Glycoside
GD016013
Name:
Neuberg EsterFormula:
C6H13O9PSmiles:
O=P(O)(O)OC[C@@H]1O[C@](O)(CO)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OSugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -3.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 260.13 | Num_heavy_atoms: | 16 |
| TPSA: | 156.91 | 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 |
