Glycoside
GD039890
Name:
({3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]oxan-2-yl}methoxy)phosphonic acidFormula:
C13H19O10PSmiles:
O=P(O)(O)OC[C@H]1O[C@H](Oc2ccccc2CO)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
COP(=O)(O)O.OCc1ccccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 6 |
| MolWt: | 366.26 | Num_heavy_atoms: | 24 |
| TPSA: | 166.14 | NumAromaticRings: | 1 |
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 |
AD05140
Formula: C7H8O2
Smiles:
OCc1ccccc1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
