Glycoside
GD039957
Name:
[(2~{r},3~{r},4~{s},5~{s},6~{r})-2-[(3~{s})-2-azanylidene-3-oxidanyl-pent-4-enoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] hydrogen sulfateFormula:
C11H19O10NSSmiles:
C=C[C@H](O)C(=N)CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@@H]1OAglycone:
C=CC(O)C(=N)CO.O=S(=O)(O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.73 |
| AlogP: | -2.8 | Num_rotatable_bonds: | 8 |
| MolWt: | 357.34 | Num_heavy_atoms: | 23 |
| TPSA: | 186.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD24610
Formula: C5H9O2N
Smiles:
C=CC(O)C(=N)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 115.13 | Num_heavy_atoms: | 8 |
| TPSA: | 64.31 | NumAromaticRings: | 0 |
