6'-coumaroyl-1'-O-[2-(3,4-dihydroxyphenyl)ethyl]-beta-D-glucopyranoside

PubChem CID: 11719580

Connections displayed (default: 10).

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Compound Synonyms	6'-coumaroyl-1'-O-[2-(3,4-dihydroxyphenyl)ethyl]-beta-D-glucopyranoside, CHEBI:65664, 2-(3,4-dihydroxyphenyl)ethyl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside, Neosyringalide, CHEMBL469622, DTXSID201317202, 117585-36-1, Q27134146, [(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Topological Polar Surface Area	166.0
Hydrogen Bond Donor Count	6.0
Heavy Atom Count	33.0
Isotope Atom Count	0.0
Molecular Complexity	635.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	5.0
Iupac Name	[(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Prediction Hob	0.0
Xlogp	0.9
Molecular Formula	C23H26O10
Prediction Swissadme	0.0
Inchi Key	DNMNWOHCZHSQAI-FZYQUXMESA-N
Fcsp3	0.3478260869565217
Logs	-2.338
Rotatable Bond Count	9.0
Logd	1.493
Compound Name	6'-coumaroyl-1'-O-[2-(3,4-dihydroxyphenyl)ethyl]-beta-D-glucopyranoside
Prediction Hob Swissadme	0.0
Exact Mass	462.153
Formal Charge	0.0
Monoisotopic Mass	462.153
Hydrogen Bond Acceptor Count	10.0
Molecular Weight	462.4
Covalent Unit Count	1.0
Total Atom Stereocenter Count	5.0
Total Bond Stereocenter Count	1.0
Esol	-2.9807871090909095
Inchi	InChI=1S/C23H26O10/c24-15-5-1-13(2-6-15)4-8-19(27)32-12-18-20(28)21(29)22(30)23(33-18)31-10-9-14-3-7-16(25)17(26)11-14/h1-8,11,18,20-26,28-30H,9-10,12H2/b8-4+/t18-,20-,21+,22-,23-/m1/s1
Smiles	C1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCC3=CC(=C(C=C3)O)O)O)O)O)O
Nring	3.0
Defined Bond Stereocenter Count	1.0

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94. Outgoing r'ship FOUND_IN to/from Youngia Japonica (Plant) Rel Props:Reference:

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6'-coumaroyl-1'-O-[2-(3,4-dihydroxyphenyl)ethyl]-beta-D-glucopyranoside

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Phytochemical Properties

Associated Connections 94

Plant Connections 94