[6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

PubChem CID: 6442411

Connections displayed (default: 10).

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Compound Synonyms	POLIUMOSIDE, 94079-81-9, CID 6442411, [6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate, Poliumoside (Standard), SCHEMBL14917092, HY-N0033R, CHEBI:183949, 2-(3,4-DIHYDROXYPHENYL)ETHYL 3-O,6-O-BIS(ALPHA-L-RHAMNOPYRANOSYL)-4-O-[(E)-3-(3,4-DIHYDROXYPHENYL)PROPENOYL]-BETA-D-GLUCOPYRANOSIDE, 6-[2-(3,4-DIHYDROXYPHENYL)ETHOXY]-5-HYDROXY-4-[(3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL)OXY]-2-{[(3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL)OXY]METHYL}OXAN-3-YL (2E)-3-(3,4-DIHYDROXYPHENYL)PROP-2-ENOATE, HY-N0033, AKOS037647890, FP73980, AC-34320, AS-75175
Topological Polar Surface Area	304.0
Hydrogen Bond Donor Count	11.0
Heavy Atom Count	54.0
Isotope Atom Count	0.0
Molecular Complexity	1210.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	[6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Prediction Hob	0.0
Xlogp	-1.6
Molecular Formula	C35H46O19
Prediction Swissadme	0.0
Inchi Key	YMWRMAOPKNYHMZ-VMPITWQZSA-N
Fcsp3	0.5714285714285714
Logs	-1.687
Rotatable Bond Count	13.0
Logd	0.898
Compound Name	[6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Prediction Hob Swissadme	0.0
Exact Mass	770.263
Formal Charge	0.0
Monoisotopic Mass	770.263
Hydrogen Bond Acceptor Count	19.0
Molecular Weight	770.7
Covalent Unit Count	1.0
Total Atom Stereocenter Count	15.0
Total Bond Stereocenter Count	1.0
Esol	-2.9169952444444474
Inchi	InChI=1S/C35H46O19/c1-14-24(41)26(43)28(45)33(50-14)49-13-22-31(53-23(40)8-5-16-3-6-18(36)20(38)11-16)32(54-35-29(46)27(44)25(42)15(2)51-35)30(47)34(52-22)48-10-9-17-4-7-19(37)21(39)12-17/h3-8,11-12,14-15,22,24-39,41-47H,9-10,13H2,1-2H3/b8-5+
Smiles	CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC(=C(C=C3)O)O)O)OC4C(C(C(C(O4)C)O)O)O)OC(=O)/C=C/C5=CC(=C(C=C5)O)O)O)O)O
Nring	5.0
Defined Bond Stereocenter Count	1.0

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[6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

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Phytochemical Properties

Associated Connections 111

Plant Connections 111