PDND
Phytochemical Database for Neurological Disorders
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Phytochemical Name : Isoacteoside
PCNDIDI0039
Pubchem CID : 6476333
Molecular formula: C29H36O15

Molecular weight : 624.600

Canonical SMILES : CC1C(C(C(C(O1)OC2C(C(OC(C2O)OCCC3=CC(=C(C=C3)O)O)COC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O)O

Synonymes : Isoacteoside|61303-13-7|isoverbascoside|Isoacetoside|UNII-588LJK42AP|588LJK42AP|NSC-729649|[(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate|NSC 729649|beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-, 6-(3-(3,4-dihydroxyphenyl)-2-propenoate), (E)-|iso-acteoside|Acteoside isomer|Verbascoside,(S)|[(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate|CHEMBL504873|CHEBI:192072|DTXSID501317837|HY-N0022|BDBM50386896|MFCD06798947|NSC729649|s9128|AKOS037514697|CCG-270268|MS-30813|Q-100709|Q27261572|((2R,3R,4S,5R,6R)-6-(3,4-Dihydroxyphenethoxy)-3,5-dihydroxy-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)methyl (E)-3-(3,4-dihydroxyphenyl)acrylate|(E)-((2R,3R,4S,5R,6R)-6-(3,4-dihydroxyphenethoxy)-3,5-dihydroxy-4-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)tetrahydro-2H-pyran-2-yl)methyl 3-(3,4-dihydroxyphenyl)acrylate|.BETA.-D-GLUCOPYRANOSIDE, 2-(3,4-DIHYDROXYPHENYL)ETHYL 3-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-, 6-((2E)-3-(3,4-DIHYDROXYPHENYL)-2-PROPENOATE)|.beta.-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-.alpha.-L-mannopyranosyl)-6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-|1-O-[2-(3,4-Dihydroxyphenyl)ethyl]-3-O-(3alpha,4alpha,5beta-trihydroxy-6alpha-methyltetrahydro-2H-pyran-2beta-yl)-6-O-[3-(3,4-dihydroxyphenyl)acryloyl]-beta-D-glucopyranose|2-(3',4'-dihydroxyphenyl)ethyl 6-O-caffeoyl-3-O-(alpha-l-rhamnopyranosyl)-beta-d-glucopyranoside|beta-D-GLUCOPYRANOSIDE, 2-(3,4-DIHYDROXYPHENYL)ETHYL 3-O-(6-DEOXY-alpha-L-MANNOPYRANOSYL)-, 6-((2E)-3-(3,4-DIHYDROXYPHENYL)-2-PROPENOATE)

Structure
3D structure 2D structure
6476333
Predicted properties (NCBI Pubchem)

Physicochemical Properties