Glycoside
GD038888
Name:
(2~{s},3~{s},4~{r},5~{s},6~{s})-2-[[(2~{r},3~{s},4~{r},6~{r})-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triolFormula:
C13H24O8Smiles:
C[C@H]1O[C@H](C[C@@H]2C[C@@H](O)O[C@@H](CO)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1OAglycone:
CC1CC(O)OC(CO)C1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -2.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 308.33 | Num_heavy_atoms: | 21 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD24169
Formula: C7H14O4
Smiles:
CC1CC(O)OC(CO)C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 1 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
