Glycoside
GD019654
Name:
(2S,3R,4S,5R,6R)-2-[3-[(E)-2-(3,4-Dimethoxyphenyl)Ethenyl]-5-Methoxyphenoxy]-3,4,5-Trimethoxy-6-(Methoxymethyl)OxaneFormula:
C27H36O9Smiles:
COC[C@@H]1O[C@H](Oc2cc(C=Cc3ccc(OC)c(OC)c3)cc(OC)c2)[C@H](OC)[C@H](OC)[C@H]1OCAglycone:
COc1cc(O)cc(C=Cc2ccc(OC)c(OC)c2)c1Sugarmoiety:
CO.COCC1OOC(OC)C(OC)C1OCOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.48 |
| AlogP: | 3.68 | Num_rotatable_bonds: | 12 |
| MolWt: | 504.58 | Num_heavy_atoms: | 36 |
| TPSA: | 83.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD13689
Formula: C17H18O4
Smiles:
COc1cc(O)cc(C=Cc2ccc(OC)c(OC)c2)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 3.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 286.33 | Num_heavy_atoms: | 21 |
| TPSA: | 47.92 | NumAromaticRings: | 2 |
