Hederacoside D (Standard)

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Description

Hederacoside D (Standard) is the analytical standard of Hederacoside D. This product is intended for research and analytical applications. Hederacoside D is one of the bioactive saponins from Hedera helix, and plays pivotal roles in the overall biological activity.

CAS Number

760961-03-3

UNSPSC

12352005

Target

Others; Reference Standards

Type

Reference Standards

Related Pathways

Others

Field of Research

Inflammation/Immunology

Assay Protocol

https://www.medchemexpress.com/hederacoside-d-standard.html

Smiles

O[C@@H]1[C@H](O)[C@@H](O)C(O[C@@H]2[C@](CO)(C)C(CC[C@]3(C)C4([H])CC=C5C3(C)CC[C@]6(C(O[C@@H]7O[C@H](COC8[C@H](O)[C@@H](O)[C@H](O[C@]9([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@@H](CO)O8)[C@@H](O)[C@H](O)[C@H]7O)=O)[C@@]5([H])CC(C)(C)CC6)([H])[C@]4(C)CC2)([H])OC1

Molecular Formula

C53H86O22

Molecular Weight

1075.24

References & Citations

[1]Yu M, et al. Pharmacokinetic parameters of three active ingredients hederacoside C, hederacoside D, and ɑ-hederin in Hedera helix in rats. J Sep Sci. 2016 Sep;39 (17) :3292-301

Shipping Conditions

Room temperature

Scientific Category

Reference Standards

Chemical Information

Cauloside D

Cauloside D is a pentacyclic triterpenoid, a carboxylic ester and a triterpenoid saponin. It has a role as an anti-inflammatory agent and a plant metabolite. It is functionally related to a hederagenin.

CAS Number	760961-03-3
PubChem CID	21630094
IUPAC Name	[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Molecular Formula	C53H86O22
Molecular Weight	1075.2
XLogP	-0.9
Topological Polar Surface Area	354
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	22
Rotatable Bond Count	12
Heavy Atom Count	75
Formal Charge	0
Complexity	2060

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)[C@@]45CC[C@@]6(C(=CC[C@H]7[C@]6(CC[C@@H]8[C@@]7(CC[C@@H]([C@@]8(C)CO)O[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O)C)C)[C@@H]4CC(CC5)(C)C)C)O)O)O)CO)O)O)O

InChI

InChI=1S/C53H86O22/c1-23-32(57)35(60)39(64)45(70-23)74-42-27(19-54)71-43(41(66)37(42)62)69-21-28-34(59)36(61)40(65)46(72-28)75-47(67)53-16-14-48(2,3)18-25(53)24-8-9-30-49(4)12-11-31(73-44-38(63)33(58)26(56)20-68-44)50(5,22-55)29(49)10-13-52(30,7)51(24,6)15-17-53/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25-,26-,27+,28+,29+,30+,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1

InChIKey

UEHILKCNLIKLEV-LXABABOZSA-N

Chemical Structure

2D Structure

CAS: 760961-03-3

CID: 21630094

Formula: C53H86O22

MW: 1075.2

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1075.2
XLogP3	-0.9
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	22
Rotatable Bond Count	12
Exact Mass	1074.56107437
Monoisotopic Mass	1074.56107437
Topological Polar Surface Area	354 Å²
Heavy Atom Count	75
Formal Charge	0
Complexity	2060
Isotope Atom Count	0
Defined Atom Stereocenter Count	28
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
N2013-20	Hederacoside C
GTR19159424-01	Hederacoside D

Hederacoside D (Standard)

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