Glycoside
GD038685
Name:
(2~{s})-3-cyclohexyl-2-[(2~{r},3~{s},4~{s},5~{r},6~{r})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[(1~{r},2~{r})-2-[(2~{r},3~{s},4~{r},5~{s},6~{r})-3,4,5-tris(oxidanyl)-6-(trifluoromethyl)oxan-2-yl]oxycyclohexyl]oxy-oxan-4-yl]oxy-propanoic acidFormula:
C27H43O13F3Smiles:
O=C(O)[C@@H](CC1CCCCC1)O[C@@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2CCCC[C@H]2O[C@H]2O[C@H](C(F)(F)F)[C@H](O)[C@H](O)[C@@H]2O)[C@H]1OAglycone:
O=C(O)C(O)CC1CCCCC1.OC1CCCCC1OSugarmoiety:
OC1OC(C(F)(F)F)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.96 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 10 |
| MolWt: | 632.62 | Num_heavy_atoms: | 43 |
| TPSA: | 204.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD00489
Formula: C6H12O2
Smiles:
OC1CCCCC1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
AD00935
Formula: C9H16O3
Smiles:
O=C(O)C(O)CC1CCCCC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 172.22 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
