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Compound Summary

Echinacoside

Compound Information

Echinacoside

Compound Name:	Echinacoside
Compound CID:	5281771
Synonyms:	Echinacoside 82854-37-3 UNII-I04O1DT48T DSSTox_CID_13469 CHEBI:4745 More...
Iupac Name:	[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChI:	InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26+,27-,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1
InChIKey:	FSBUXLDOLNLABB-ISAKITKMSA-N
Canonical Smiles:	CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC4C(C(C(C(O4)CO)O)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O
Isomeric Smiles:	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O
Molecular Weight:	786.7
Molecular Formula:	C35H46O20

Compound Structure

2D Structure:

3D Structure:

Computed Properties

Echinacoside

Molecular Weight:	786.7
Molecular Formula:	C35H46O20
Hydrogen Bond Donor Count:	12
Hydrogen Bond Acceptor Count:	20
Rotatable Bond Count:	14
Heavy Atom Count:	55
Complexity:	1230

Synonyms

Echinacoside

Echinacoside	Echinacoside
Echinacoside	82854-37-3
UNII-I04O1DT48T	DSSTox_CID_13469
CHEBI:4745	I04O1DT48T
MFCD00075695	(2R,3R,4R,5R,6R)-6-2-(3,4-dihydroxyphenyl)ethoxy-5-hydroxy-2-(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yloxymethyl-4-(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yloxyoxan-3-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
AC1NQZ1Q	Echinacoside;
Echinacoside,(S)	SureCN525502
DSSTox_RID_79077	DSSTox_GSID_33469
Echinacoside, 98% (HPLC)	SCHEMBL525502
CHEMBL510539	MEGxp0_001773
DTXSID0033469	Echinacoside, analytical standard
HMS3885K04	HY-N0020
Tox21_200945	C35H46O20
s3783	ZINC85504689
AKOS015897141	CCG-270479
CS-3400	DB15488
MCULE-8160546274	NCGC00091915-01
NCGC00091915-02	NCGC00258498-01
AC-34699	AS-56376
Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-O-(beta-D-glucopyranosyl-(1-6))-, 4-(3-(3,4-dihydroxyphenyl)-2-propenoate), beta-D-	CAS-82854-37-3
V1513	A12039
854E373	Q475631
Echinacoside, primary pharmaceutical reference standard	Echinacoside, United States Pharmacopeia (USP) Reference Standard
(2R,3R,4R,5R,6R)-6-(3,4-Dihydroxyphenethoxy)-5-hydroxy-2-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl 3-(3,4-dihydroxyphenyl)acrylate	(2R,3R,4R,5R,6R)-6-2-(3,4-dihydroxyphenyl)ethoxy-5-hydroxy-2-(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yloxymethyl-4-(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yloxy-tetrahydropyran-3-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
2-(3,4-dihydroxyphenyl)ethyl 6-deoxy-alpha-L-mannopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-6)-4-O-(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl-beta-D-glucopyranoside	3,4-Dihydroxyphenethyl 3-O-(alpha-L-rhamnopyranosyl)-4-O-(3,4-dihydroxycinnamoyl)-6-O-(beta-D-glucopyranosyl)-beta-D-glucopyranoside
NCGC00091915-03!(2R,3R,4R,5R,6R)-6-2-(3,4-dihydroxyphenyl)ethoxy-5-hydroxy-2-(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yloxymethyl-4-(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yloxyoxan-3-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Experimental Data

Echinacoside

Species	Dose	Unit	Control(Avg days)	Treatment(Avg days)	Avg/Med Lifespan Change(%)	Significant	Strain	PubMed	Avg/Med Lifespan Change tab
Caenorhabditis elegans	300.000000000000000	umol/L				Unclear	N2	33683565
Caenorhabditis elegans	150.000000000000000	umol/L	18.420000000000000	19.570000000000000	6.240000000000000	NS	N2	26027643	Inactive
Caenorhabditis elegans	150.000000000000000	umol/L			7.600000000000000	S	N2	33683565	Active
Caenorhabditis elegans	50.000000000000000	umol/L	17.750000000000000	18.300000000000000	3.100000000000000	NS	N2	26027643	Inactive
Caenorhabditis elegans	600.000000000000000	umol/L	18.420000000000000	20.200000000000000	9.660000000000000	S	N2	26027643	Active
Caenorhabditis elegans	50.000000000000000	umol/L	16.580000000000000	17.110000000000000	3.200000000000000	NS	N2	26027643	Inactive
Caenorhabditis elegans	300.000000000000000	umol/L	18.420000000000000	21.180000000000000	14.980000000000000	S	N2	26027643	Active
Caenorhabditis elegans	50.000000000000000	umol/L			3.200000000000000	NS	N2	33683565	Inactive
Caenorhabditis elegans	600.000000000000000	umol/L			9.500000000000000	S	N2	33683565	Active
Caenorhabditis elegans	150.000000000000000	umol/L	17.750000000000000	19.170000000000000	8.000000000000000	NS	N2	26027643	Inactive
Caenorhabditis elegans	600.000000000000000	umol/L	16.580000000000000	17.480000000000000	5.430000000000000	NS	N2	26027643	Inactive
Caenorhabditis elegans	50.000000000000000	umol/L	18.420000000000000	18.920000000000000	2.710000000000000	NS	N2	26027643	Inactive
Caenorhabditis elegans	300.000000000000000	umol/L			15.800000000000000	S	N2	33683565	Active
Caenorhabditis elegans	300.000000000000000	umol/L	16.580000000000000	19.030000000000000	14.780000000000000	S	N2	26027643	Active
Caenorhabditis elegans	600.000000000000000	umol/L	17.750000000000000	19.940000000000000	12.340000000000000	S	N2	26027643	Active
Caenorhabditis elegans	150.000000000000000	umol/L	16.580000000000000	18.000000000000000	8.560000000000000	NS	N2	26027643	Inactive
Caenorhabditis elegans	300.000000000000000	umol/L	17.750000000000000	20.870000000000000	17.580000000000000	S	N2	26027643	Active

Experimental Data Visualization

Echinacoside

Statistics Data

Echinacoside

Species	Avg/Med Lifespan Change(%)	Max Lifespan Change(%)	Count Reference	Count Data point
Caenorhabditis elegans	17.580000000000000		2	17

Statistics Data Visualization

Echinacoside

Compound Name:

Echinacoside

Compound CID:

5281771

Synonyms:

Echinacoside 82854-37-3 UNII-I04O1DT48T DSSTox_CID_13469 CHEBI:4745 More...

Iupac Name:

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

InChI:

InChIKey:

FSBUXLDOLNLABB-ISAKITKMSA-N

Canonical Smiles:

CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC4C(C(C(C(O4)CO)O)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O

Isomeric Smiles:

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O

Molecular Weight:

786.7

Molecular Formula:

C35H46O20

Molecular Weight:

786.7

Molecular Formula:

C35H46O20

Hydrogen Bond Donor Count:

12

Hydrogen Bond Acceptor Count:

20

Rotatable Bond Count:

14

Heavy Atom Count:

55

Complexity:

1230

Echinacoside

82854-37-3

UNII-I04O1DT48T

DSSTox_CID_13469

CHEBI:4745

I04O1DT48T

MFCD00075695

(2R,3R,4R,5R,6R)-6-2-(3,4-dihydroxyphenyl)ethoxy-5-hydroxy-2-(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yloxymethyl-4-(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yloxyoxan-3-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

AC1NQZ1Q

Echinacoside;

Echinacoside,(S)

SureCN525502

DSSTox_RID_79077

DSSTox_GSID_33469

Echinacoside, 98% (HPLC)

SCHEMBL525502

CHEMBL510539

MEGxp0_001773

DTXSID0033469

Echinacoside, analytical standard

HMS3885K04

HY-N0020

Tox21_200945

C35H46O20

s3783

ZINC85504689

AKOS015897141

CCG-270479

CS-3400

DB15488

MCULE-8160546274

NCGC00091915-01

NCGC00091915-02

NCGC00258498-01

AC-34699

AS-56376

Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-O-(beta-D-glucopyranosyl-(1-6))-, 4-(3-(3,4-dihydroxyphenyl)-2-propenoate), beta-D-

CAS-82854-37-3

V1513

A12039

854E373

Q475631

Echinacoside, primary pharmaceutical reference standard

Echinacoside, United States Pharmacopeia (USP) Reference Standard

(2R,3R,4R,5R,6R)-6-(3,4-Dihydroxyphenethoxy)-5-hydroxy-2-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl 3-(3,4-dihydroxyphenyl)acrylate

(2R,3R,4R,5R,6R)-6-2-(3,4-dihydroxyphenyl)ethoxy-5-hydroxy-2-(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yloxymethyl-4-(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yloxy-tetrahydropyran-3-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

2-(3,4-dihydroxyphenyl)ethyl 6-deoxy-alpha-L-mannopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-6)-4-O-(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl-beta-D-glucopyranoside

Echinacoside

82854-37-3

UNII-I04O1DT48T

DSSTox_CID_13469

CHEBI:4745

More...