Glycoside
GD038892
Name:
(2~{s},3~{s},4~{r},5~{s},6~{s})-2-[[(2~{r},3~{s},4~{r},6~{s})-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triolFormula:
C14H26O8Smiles:
CO[C@@H]1C[C@@H](C[C@H]2O[C@H](C)[C@@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](CO)O1Aglycone:
COC1CC(C)C(O)C(CO)O1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 322.35 | Num_heavy_atoms: | 22 |
| TPSA: | 128.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD24170
Formula: C8H16O4
Smiles:
COC1CC(C)C(O)C(CO)O1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 176.21 | Num_heavy_atoms: | 12 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
