Polyphyllin C

CAT: 0013-GTR19183206Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19183206Size:5 mg

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Description

Polyphyllin C is a bioactive steroidal saponin isolated from natural sources. It is widely used in pharmacological research, particularly in studies investigating its anti-cancer and anti-inflammatory activities, as evidenced by both in vitro cell-based assays and in vivo animal models.

CAS Number

76296-71-4

Field of Research

Infectious Disease & Virology, Protein Biochemistry

Smiles

[H][C@]12C[C@@]3 ([H]) [C@]4 ([H]) CC=C5C[C@H] (CC[C@]5 (C) [C@@]4 ([H]) CC[C@]3 (C) [C@@]1 ([H]) [C@H] (C) [C@@]1 (CC[C@@H] (C) CO1) O2) O[C@@H]1O[C@H] (CO) [C@@H] (O) [C@H] (O[C@@H]2O[C@@H] (C) [C@H] (O) [C@@H] (O) [C@H]2O) [C@H]1O |t:8|

Molecular Formula

C39H62O12

Molecular Weight

722.913

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Polyphillin C

Polyphyllin C has been reported in Tacca chantrieri and Paris polyphylla with data available.

CAS Number	76296-71-4
PubChem CID	44429637
IUPAC Name	(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
Molecular Formula	C39H62O12
Molecular Weight	722.9
XLogP	3
Topological Polar Surface Area	177
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	5
Heavy Atom Count	51
Formal Charge	0
Complexity	1310

SMILES

C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)C)C)C)OC1

InChI

InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(45)34(30(42)27(16-40)49-36)50-35-32(44)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34+,35+,36-,37+,38+,39-/m1/s1

InChIKey

OJCPWEBMROBPTK-GTCMQMDYSA-N

Chemical Structure

2D Structure

CAS: 76296-71-4

CID: 44429637

Formula: C39H62O12

MW: 722.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	722.9
XLogP3	3
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	5
Exact Mass	722.42412741
Monoisotopic Mass	722.42412741
Topological Polar Surface Area	177 Å²
Heavy Atom Count	51
Formal Charge	0
Complexity	1310
Isotope Atom Count	0
Defined Atom Stereocenter Count	21
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

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GTR19183205	Polyphyllin E
GTR19159420-01	Polyphyllin?VII
GTR19159144-01	Polyphyllin I
GTR19192965-01	Polyphyllin G
GTR19170683-01	Polyphyllin II
GTR19159018-01	Polyphyllin VI

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294500-01	Polyphyllin A
TP049263	Polyphyllin Ⅵ
TP049264	Polyphyllin Ⅶ
FP73840-01	Polyphyllin II
OP59478	Polyphyllin C
HY-N0047-01	Polyphyllin I
HY-W019830-01	Polyphyllin F
AB1965	Polyphyllin VII
AB0596	Polyphyllin VI
MBS579647	Polyphyllin B

Polyphyllin C

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