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Macranthoside A

CAT: 0804-HY-107313-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-107313-04Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Macranthoside A is a triterpene glycoside with anti-microbially activity[1].
CAS Number
128730-82-5
UNSPSC
12352005
Target
Bacterial
Type
Natural Products
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/macranthoside-a.html
Purity
99.47
Solubility
10 mM in DMSO
Smiles
C[C@@]12C([C@@]3([H])[C@@](CC2)(CCC(C)(C3)C)C(O)=O)=CC[C@@]4([H])[C@]1(CC[C@]5([H])[C@@]4(CC[C@@H]([C@@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)O[C@@H]8O[C@@H]([C@H]([C@@H]([C@H]8O)O)O)CO)O)C)C
Molecular Formula
C47H76O17
Molecular Weight
913.10
References & Citations
Cephalaria elmaliensis
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Kalopanaxsaponin H

Kalopanaxsaponin H has been reported in Pulsatilla chinensis with data available.

CAS Number128730-82-5
PubChem CID11506184
IUPAC Name(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular FormulaC47H76O17
Molecular Weight913.1
XLogP2
Topological Polar Surface Area275
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count17
Rotatable Bond Count9
Heavy Atom Count64
Formal Charge0
Complexity1750
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@]4([C@H]([C@]3(C)CO)CC[C@@]5([C@@H]4CC=C6[C@]5(CC[C@@]7([C@H]6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O
InChI
InChI=1S/C47H76O17/c1-22-30(51)36(63-38-34(55)33(54)32(53)26(19-48)61-38)35(56)39(60-22)64-37-31(52)25(50)20-59-40(37)62-29-11-12-43(4)27(44(29,5)21-49)10-13-46(7)28(43)9-8-23-24-18-42(2,3)14-16-47(24,41(57)58)17-15-45(23,46)6/h8,22,24-40,48-56H,9-21H2,1-7H3,(H,57,58)/t22-,24-,25-,26+,27+,28+,29-,30-,31-,32+,33-,34+,35+,36+,37+,38-,39-,40-,43-,44-,45+,46+,47-/m0/s1
InChIKey
AMXYFWUYMQOLRN-BHGPNLNISA-N
Chemical Structure
2D Structure
2D structure of Kalopanaxsaponin H
CAS: 128730-82-5
CID: 11506184
Formula: C47H76O17
MW: 913.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight913.1
XLogP32
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count17
Rotatable Bond Count9
Exact Mass912.50825095
Monoisotopic Mass912.50825095
Topological Polar Surface Area275 Ų
Heavy Atom Count64
Formal Charge0
Complexity1750
Isotope Atom Count0
Defined Atom Stereocenter Count23
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BUP00545-01Macranthoside A
T5787-01Macranthoside B

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