Glycoside
GD039917
Name:
bis(((3s,4s,5r,6r)-5-(ethyl(phosphoryloxy))-3,4,6-trihydroxy-tetrahydro-2h-pyran-2-yl)methyl) hydrogen phosphateFormula:
C16H33O20P3Smiles:
CCO[P@](=O)(O)O[C@@H]1[C@@H](O)[C@@H](O)C(COP(=O)(O)OCC2O[C@H](O)[C@H](O[P@](=O)(O)OCC)[C@H](O)[C@@H]2O)O[C@H]1OAglycone:
CCOP(=O)(O)O.CCOP(=O)(O)O.COP(=O)(O)OCSugarmoiety:
CO.OC1OOC(O)C(O)C1O.OCC1OC(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -2.96 | Num_rotatable_bonds: | 14 |
| MolWt: | 638.34 | Num_heavy_atoms: | 39 |
| TPSA: | 307.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD02080
Formula: C2H7O4P
Smiles:
COP(=O)(O)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 2 |
| MolWt: | 126.05 | Num_heavy_atoms: | 7 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
AD02591
Formula: C2H7O4P
Smiles:
CCOP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 126.05 | Num_heavy_atoms: | 7 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
