Glycoside
GD038087
Name:
[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-2-methoxy-5-oxidanyl-4-[(2-oxidanylidenechromen-3-yl)methoxy]oxan-3-yl] ethanoateFormula:
C19H22O9Smiles:
CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1OC(C)=OAglycone:
O=c1oc2ccccc2cc1COSugarmoiety:
COC1OC(CO)C(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 394.38 | Num_heavy_atoms: | 28 |
| TPSA: | 124.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD06264
Formula: C10H8O3
Smiles:
O=c1oc2ccccc2cc1CO| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 1 |
| MolWt: | 176.17 | Num_heavy_atoms: | 13 |
| TPSA: | 50.44 | NumAromaticRings: | 2 |
