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Multiflorin A

CAT: 0804-HY-N12326-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N12326-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Multiflorin A is an active ingredient derived from Pruni semen. Multiflorin A has laxative activity. Multiflorin A inhibits intestinal glucose absorption and promotes bacterial metabolism[1].
CAS Number
1350028-90-8
UNSPSC
12352005
Target
Bacterial
Type
Natural Products
Related Pathways
Anti-infection
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/multiflorin-a.html
Purity
92.0
Solubility
10 mM in DMSO
Smiles
O=C1C2=C(O)C=C(O)C=C2OC(C3=CC=C(C=C3)O)=C1O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)COC(C)=O)O)O
Molecular Formula
C29H32O16
Molecular Weight
636.55
References & Citations
[1]Zhao Z, et al. A novel purgative mechanism of multiflorin A involves changing intestinal glucose absorption and permeability. Phytomedicine. 2023 Jun;114:154805.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Multiflorin A

[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate has been reported in Rosa multiflora, Rhamnus leptophylla, and other organisms with data available.

CAS Number1350028-90-8
PubChem CID5319939
IUPAC Name[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Molecular FormulaC29H32O16
Molecular Weight636.6
XLogP-0.4
Topological Polar Surface Area251
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Heavy Atom Count45
Formal Charge0
Complexity1090
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)O)O)O
InChI
InChI=1S/C29H32O16/c1-10-25(44-29-23(38)21(36)19(34)17(43-29)9-40-11(2)30)22(37)24(39)28(41-10)45-27-20(35)18-15(33)7-14(32)8-16(18)42-26(27)12-3-5-13(31)6-4-12/h3-8,10,17,19,21-25,28-29,31-34,36-39H,9H2,1-2H3/t10-,17+,19+,21-,22-,23+,24+,25-,28-,29-/m0/s1
InChIKey
KXOPSQZLBRPJGX-KEBUVGJQSA-N
Chemical Structure
2D Structure
2D structure of Multiflorin A
CAS: 1350028-90-8
CID: 5319939
Formula: C29H32O16
MW: 636.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight636.6
XLogP3-0.4
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Exact Mass636.16903493
Monoisotopic Mass636.16903493
Topological Polar Surface Area251 Ų
Heavy Atom Count45
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T81741-01Multiflorin A
TN6916Multiflorin
GTR19230050Multiflorin B

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