Glycoside
GD039967
Name:
(1~{r},2~{s},4~{r},5~{s},6~{r})-6-[(2~{s},3~{r},4~{r},5~{s},6~{r})-5-heptoxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)cyclohexane-1,2,4-triolFormula:
C20H38O10Smiles:
CCCCCCCO[C@@H]1[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)[C@@H](O)C[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1OAglycone:
CCCCCCCO.OCC1C(O)CC(O)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -1.74 | Num_rotatable_bonds: | 11 |
| MolWt: | 438.51 | Num_heavy_atoms: | 30 |
| TPSA: | 169.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD00336
Formula: C7H16O
Smiles:
CCCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 5 |
| MolWt: | 116.2 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD23850
Formula: C7H14O5
Smiles:
OCC1C(O)CC(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 178.18 | Num_heavy_atoms: | 12 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
