Polyphyllin B

CAT: 1410-M18675-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:1410-M18675-01Size:5 mg

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Description

Polyphyllin B is a compound isolated from Rhizoma Paridis, showed pro-apoptosis and immunoregulation with antitumor activity in cultured cells and animal systems.

CAS Number

50773-42-7

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

1015.2

Molecular Formula

C51H82O20

Notes

Research use only, not for human use.

Receptor

Caspase-2

Chemical Information

Asperin

Formosanin C has been reported in Ypsilandra thibetica, Paris polyphylla var. chinensis, and other organisms with data available.

CAS Number	50773-42-7
PubChem CID	21603986
IUPAC Name	(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-[(2R,3S,4S,5R,6R)-4-hydroxy-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]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Molecular Formula	C51H82O20
Molecular Weight	1015.2
XLogP	0.2
Topological Polar Surface Area	295
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	9
Heavy Atom Count	71
Formal Charge	0
Complexity	1900

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[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)O)O)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)C)C)C)OC1

InChI

InChI=1S/C51H82O20/c1-20-10-15-51(62-19-20)21(2)32-30(71-51)17-29-27-9-8-25-16-26(11-13-49(25,6)28(27)12-14-50(29,32)7)66-48-44(70-46-39(59)36(56)34(54)23(4)64-46)41(61)43(31(18-52)67-48)69-47-40(60)37(57)42(24(5)65-47)68-45-38(58)35(55)33(53)22(3)63-45/h8,20-24,26-48,52-61H,9-19H2,1-7H3/t20-,21+,22+,23+,24+,26+,27-,28+,29+,30+,31-,32+,33+,34+,35-,36-,37+,38-,39-,40-,41+,42+,43-,44-,45+,46+,47+,48-,49+,50+,51-/m1/s1

InChIKey

OZIHYFWYFUSXIS-HDDFSWBLSA-N

Chemical Structure

2D Structure

CAS: 50773-42-7

CID: 21603986

Formula: C51H82O20

MW: 1015.2

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	1015.2
XLogP3	0.2
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	9
Exact Mass	1014.53994500
Monoisotopic Mass	1014.53994500
Topological Polar Surface Area	295 Å²
Heavy Atom Count	71
Formal Charge	0
Complexity	1900
Isotope Atom Count	0
Defined Atom Stereocenter Count	31
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
294500-01	Polyphyllin A
TP049263	Polyphyllin Ⅵ
TP049264	Polyphyllin Ⅶ
FP73840-01	Polyphyllin II
OP59478	Polyphyllin C
HY-W019830-01	Polyphyllin F
HY-N0047-01	Polyphyllin I
AB1965	Polyphyllin VII
AB0596	Polyphyllin VI
MBS579647	Polyphyllin B

Polyphyllin B

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