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AG00DA54

Name: Polyphyllin D
Brand: Angene Chemical
SKU: AG00DA54

50773-41-6 | Polyphyllin D

Chemical structure of Polyphyllin D, CAS 50773-41-6

AG00DA54

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CAS Number	50773-41-6
Catalog Number	AG00DA54(AGN-PC-0S916D)
Chemical Name	Polyphyllin D
IUPAC Name	(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[(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-3-yl]oxy-6-methyloxane-3,4,5-triol
InChI	InChI=1S/C44H70O16/c1-19-8-13-44(53-18-19)20(2)30-27(60-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,30)5)55-41-38(59-39-35(51)33(49)31(47)21(3)54-39)36(52)37(29(17-46)57-41)58-40-34(50)32(48)28(16-45)56-40/h6,19-21,23-41,45-52H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44-/m1/s1
InChI Key	LRRDDWMXYOSKIC-IPKCVOQPSA-N
MDL Number	MFCD09026938
Molecular Formula	C44H70O16
Molecular Weight	855.0170
SMILES	C[C@@]12[C@@]3([C@]([H])(C[C@]1([C@]4([C@]([H])(CC2)[C@]5(C)C(C[C@H](CC5)O[C@]6([C@H](O[C@]7([C@H](O)[C@H](O)[C@H]([C@@H](O7)C)O)[H])[C@@H](O)[C@@H]([C@H](O6)CO)O[C@@]8(O[C@H]([C@@H]([C@H]8O)O)CO)[H])[H])=CC4)[H])[H])O[C@@]9([C@H]3C)CC[C@H](CO9)C)[H]
Synonyms	diosgenyl alpha-L-rhamnopyranosyl-(1-2)-(beta-L-ara-binofuranosyl-(1-4)-beta-D-glucopyranoside), polyphyllin I, Polyphyllin I, 50773-41-6, Polyphyllin-I, CHEMBL3931203, AKOS037515173, ZINC252491736, polyphyllin D, (+)-Polyphyllin D, CHONGLOU SAPONIN I, NSC706804, ACN-035319, CID11018329, C556217, diosgenyl alpha-L-rhamnopyranosyl-(1-2)-(beta-L-ara-binofuranosyl-(1-4)-beta-D-glucopyranoside),

Complexity	1570
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	25
Defined Bond Stereocenter Count	0
Exact Mass	854.466g/mol
Formal Charge	0
Heavy Atom Count	60
Hydrogen Bond Acceptor Count	16
Hydrogen Bond Donor Count	8
Isotope Atom Count	0
Molecular Weight	855.028g/mol
Monoisotopic Mass	854.466g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	236A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited