Glycoside
GD039178
Name:
(2~{r},3~{r},4~{s},5~{s},6~{r})-2-[(2~{r},3~{s},4~{r},5~{r},6~{r})-6-(cyclohexylmethoxy)-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C19H34O11Smiles:
OC[C@H]1O[C@H](O[C@H]2[C@@H](CO)O[C@H](OCC3CCCCC3)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
OCC1CCCCC1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 438.47 | Num_heavy_atoms: | 30 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD19366
Formula: C7H14O
Smiles:
OCC1CCCCC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.19 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
