Details of Angoroside A
| IUPAC | [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| Canonical Smiles | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC4C(C(C(CO4)O)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O |
| Inchi | XPLMUADTACCMDJ-LVDCRSFESA-N |
| PubChem ID | 21603979 |
| Smiles | CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(COC3OCC(O)C(O)C3O)C2OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1O |
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| Class | Phenylpropanoids (C6-C3),Cinnamic acids and derivatives, Phenylethanoids |
| Super Class | Phenylethanoids (C6-C2) |
| Pathways | Shikimates and Phenylpropanoids |
