Complanatin

CAT: 0013-GTR19217691-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19217691-03Size:10 mg

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Description

Complanatin is an acylated flavonol glycoside isolated from Astragalus complanatus. This compound is utilized in research for investigating its potential antioxidant and anti-inflammatory activities in both in vitro and in vivo experimental models.

CAS Number

142449-94-3

Smiles

O=C (OC1C (O) C (OC=2C=CC (=CC2) C=3OC4=CC (OC) =CC (O) =C4C (=O) C3OC5OC (CO) C (O) C (O) C5O) OC (CO) C1O) C=C (C=CC6 (O) C7 (OCC6 (C) CC (O) C7) C) C

Molecular Formula

C43H52O20

Molecular Weight

888.86

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Complanatin

Complanatin has been reported in Phyllolobium chinense with data available.

CAS Number	142449-94-3
PubChem CID	162863934
IUPAC Name	[(2S,3S,4S,5R,6S)-3,5-dihydroxy-2-[4-[5-hydroxy-7-methoxy-4-oxo-3-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]phenoxy]-6-(hydroxymethyl)oxan-4-yl] (2Z,4E)-5-[(1R,3S,5R,8S)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoate
Molecular Formula	C43H52O20
Molecular Weight	888.9
XLogP	0.9
Topological Polar Surface Area	310
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	13
Heavy Atom Count	63
Formal Charge	0
Complexity	1750

SMILES

C/C(=C/C(=O)O[C@H]1[C@@H]([C@@H](O[C@H]([C@H]1O)OC2=CC=C(C=C2)C3=C(C(=O)C4=C(C=C(C=C4O3)OC)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CO)O)O)O)CO)O)/C=C/[C@@]6([C@@]7(C[C@@H](C[C@]6(OC7)C)O)C)O

InChI

InChI=1S/C43H52O20/c1-19(9-10-43(55)41(2)14-21(46)15-42(43,3)57-18-41)11-28(48)62-37-31(50)27(17-45)61-40(35(37)54)58-22-7-5-20(6-8-22)36-38(63-39-34(53)33(52)30(49)26(16-44)60-39)32(51)29-24(47)12-23(56-4)13-25(29)59-36/h5-13,21,26-27,30-31,33-35,37,39-40,44-47,49-50,52-55H,14-18H2,1-4H3/b10-9+,19-11-/t21-,26-,27-,30+,31+,33-,34+,35-,37-,39-,40+,41+,42+,43-/m0/s1

InChIKey

LOZSDYKADWUMPL-BIGJZMEFSA-N

Chemical Structure

2D Structure

CAS: 142449-94-3

CID: 162863934

Formula: C43H52O20

MW: 888.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	888.9
XLogP3	0.9
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	13
Exact Mass	888.30519404
Monoisotopic Mass	888.30519404
Topological Polar Surface Area	310 Å²
Heavy Atom Count	63
Formal Charge	0
Complexity	1750
Isotope Atom Count	0
Defined Atom Stereocenter Count	14
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
T82691-01	Complanatin
HY-N11450-01	Complanatin I
M38202	Complanatin II

Complanatin

Chemical Information

Alternative Products

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